N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide

C19H15Cl2N3O3S — CID 58268290

IUPACN-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2N)ccc1Cl
InChIInChI=1S/C19H15Cl2N3O3S/c1-11-8-13(6-7-15(11)21)28(26,27)24-17-9-12(20)10-23-18(17)19(25)14-4-2-3-5-16(14)22/h2-10,24H,22H2,1H3
InChIKeySZLVPTUDOVIBDD-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.31
Rot. Bonds5

About N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide

N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide (PubChem CID 58268290) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
PubChem CID58268290
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC NameN-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2N)ccc1Cl
InChIInChI=1S/C19H15Cl2N3O3S/c1-11-8-13(6-7-15(11)21)28(26,27)24-17-9-12(20)10-23-18(17)19(25)14-4-2-3-5-16(14)22/h2-10,24H,22H2,1H3
InChIKeySZLVPTUDOVIBDD-UHFFFAOYSA-N
XLogP4.31
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
N-[2-[4-(2-aminoacetyl)-2,3-dihydro-1,4-benzoxazine-8-carbonyl]-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268125
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
2-[3-[(4-tert-butylphenyl)sulfonylamino]-5-chloropyridine-2-carbonyl]benzoate
CID 143610397
N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 58268235
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
CID 58268152

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide (CID 58268290) is N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccccc2N)ccc1Cl.
What is the InChIKey of N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide?
The InChIKey is SZLVPTUDOVIBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-11-8-13(6-7-15(11)21)28(26,27)24-17-9-12(20)10-23-18(17)19(25)14-4-2-3-5-16(14)22/h2-10,24H,22H2,1H3.
What are the key properties of N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide?
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide has a molecular weight of 436.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 58268290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).