N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide

C19H16ClN3O6S2 — CID 26979178

IUPACN-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O6S2/c1-13-9-10-16(22-30(26,27)18-8-3-2-7-17(18)23(24)25)12-19(13)31(28,29)21-15-6-4-5-14(20)11-15/h2-12,21-22H,1H3
InChIKeyLMWXINHLIQSVTC-UHFFFAOYSA-N
MW481.94 g/mol
LogP4.16
Rot. Bonds7

About N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide

N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide (PubChem CID 26979178) has the molecular formula C19H16ClN3O6S2 and a molecular weight of 481.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
PubChem CID26979178
Molecular FormulaC19H16ClN3O6S2
Molecular Weight481.94 g/mol
Exact Mass481.02
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H16ClN3O6S2/c1-13-9-10-16(22-30(26,27)18-8-3-2-7-17(18)23(24)25)12-19(13)31(28,29)21-15-6-4-5-14(20)11-15/h2-12,21-22H,1H3
InChIKeyLMWXINHLIQSVTC-UHFFFAOYSA-N
XLogP4.16
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.94
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 61016331
4-chloro-N-(4-chloro-3-nitrophenyl)-2-methylbenzenesulfonamide
CID 60533121
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789500
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide (CID 26979178) is N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is LMWXINHLIQSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O6S2/c1-13-9-10-16(22-30(26,27)18-8-3-2-7-17(18)23(24)25)12-19(13)31(28,29)21-15-6-4-5-14(20)11-15/h2-12,21-22H,1H3.
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide?
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 481.94 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 26979178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).