N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide

C118H87BrCl6N10O20S8 — CID 161453828

IUPACN-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide
SMILESC#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.C=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2cccnc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1.Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1.Cc1sc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Br.O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H15ClN2O3S.C21H14ClNO3S.C20H16ClNO3S.C19H15ClN2O3S.C18H13BrClNO3S2.C18H14ClN3O5S2/c23-18-8-10-21(20(13-18)22(26)17-6-3-11-24-14-17)25-29(27,28)19-9-7-15-4-1-2-5-16(15)12-19;1-2-15-8-11-18(12-9-15)27(25,26)23-20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)26(24,25)22-19-11-10-16(21)13-18(19)20(23)15-7-3-2-4-8-15;1-13-5-8-15(9-6-13)26(24,25)22-17-10-7-14(20)12-16(17)19(23)18-4-2-3-11-21-18;1-11-15(19)10-17(25-11)26(23,24)21-16-8-7-13(20)9-14(16)18(22)12-5-3-2-4-6-12;1-22(23)14-5-7-15(8-6-14)29(26,27)21-17-9-4-13(19)11-18(17)28(24,25)16-3-2-10-20-12-16/h1-14,25H;1,3-14,23H;2-13,22H,1H3;2-12,22H,1H3;2-10,21H,1H3;2-12,21H,1H2
InChIKeyWAWPSOBVSTVRMV-UHFFFAOYSA-N
MW2514.20 g/mol
LogP26.74
Rot. Bonds31

About N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide

N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide (PubChem CID 161453828) has the molecular formula C118H87BrCl6N10O20S8 and a molecular weight of 2514.20 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide
PubChem CID161453828
Molecular FormulaC118H87BrCl6N10O20S8
Molecular Weight2514.20 g/mol
Exact Mass2508.12
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide
SMILESC#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.C=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2cccnc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1.Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1.Cc1sc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Br.O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H15ClN2O3S.C21H14ClNO3S.C20H16ClNO3S.C19H15ClN2O3S.C18H13BrClNO3S2.C18H14ClN3O5S2/c23-18-8-10-21(20(13-18)22(26)17-6-3-11-24-14-17)25-29(27,28)19-9-7-15-4-1-2-5-16(15)12-19;1-2-15-8-11-18(12-9-15)27(25,26)23-20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)26(24,25)22-19-11-10-16(21)13-18(19)20(23)15-7-3-2-4-8-15;1-13-5-8-15(9-6-13)26(24,25)22-17-10-7-14(20)12-16(17)19(23)18-4-2-3-11-21-18;1-11-15(19)10-17(25-11)26(23,24)21-16-8-7-13(20)9-14(16)18(22)12-5-3-2-4-6-12;1-22(23)14-5-7-15(8-6-14)29(26,27)21-17-9-4-13(19)11-18(17)28(24,25)16-3-2-10-20-12-16/h1-14,25H;1,3-14,23H;2-13,22H,1H3;2-12,22H,1H3;2-10,21H,1H3;2-12,21H,1H2
InChIKeyWAWPSOBVSTVRMV-UHFFFAOYSA-N
XLogP26.74
TPSA461.25 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002514.20
LogP ≤ 526.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide with MolForge

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Related Compounds

N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-(4-chloro-2-pyridin-3-ylsulfonylphenyl)-4-nitrobenzenesulfonamide
CID 159841678
N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide
CID 58979539
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-fluorobenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-methoxybenzenesulfonamide
CID 158129302
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
CID 58979554
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
N-[4-chloro-2-(6-chloropyridine-3-carbonyl)phenyl]-4-prop-1-en-2-ylbenzenesulfonamide
CID 88856886
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014
N-(2-benzoyl-4-chlorophenyl)-4-iodobenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)thiophene-2-sulfonamide;N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-4-nitrobenzenesulfonamide
CID 158691599

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide (CID 161453828) is N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide is C#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.C=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2S(=O)(=O)c2cccnc2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1.Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1.Cc1sc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Br.O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide?
The InChIKey is WAWPSOBVSTVRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3S.C21H14ClNO3S.C20H16ClNO3S.C19H15ClN2O3S.C18H13BrClNO3S2.C18H14ClN3O5S2/c23-18-8-10-21(20(13-18)22(26)17-6-3-11-24-14-17)25-29(27,28)19-9-7-15-4-1-2-5-16(15)12-19;1-2-15-8-11-18(12-9-15)27(25,26)23-20-13-10-17(22)14-19(20)21(24)16-6-4-3-5-7-16;1-14-6-5-9-17(12-14)26(24,25)22-19-11-10-16(21)13-18(19)20(23)15-7-3-2-4-8-15;1-13-5-8-15(9-6-13)26(24,25)22-17-10-7-14(20)12-16(17)19(23)18-4-2-3-11-21-18;1-11-15(19)10-17(25-11)26(23,24)21-16-8-7-13(20)9-14(16)18(22)12-5-3-2-4-6-12;1-22(23)14-5-7-15(8-6-14)29(26,27)21-17-9-4-13(19)11-18(17)28(24,25)16-3-2-10-20-12-16/h1-14,25H;1,3-14,23H;2-13,22H,1H3;2-12,22H,1H3;2-10,21H,1H3;2-12,21H,1H2.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide?
N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide has a molecular weight of 2514.20 g/mol, XLogP of 26.74, 31 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-ethynylbenzenesulfonamide;N-(2-benzoyl-4-chlorophenyl)-3-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-methylbenzenesulfonamide;N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-[4-[(4-chloro-2-pyridin-3-ylsulfonylphenyl)sulfamoyl]phenyl]methanimine oxide is sourced from PubChem (CID 161453828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).