3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide

C19H13Cl3N2O3S — CID 59485472

IUPAC3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H13Cl3N2O3S/c1-11-2-3-12(10-23-11)19(25)15-8-13(20)4-7-18(15)24-28(26,27)14-5-6-16(21)17(22)9-14/h2-10,24H,1H3
InChIKeyMDYJRLRTSPIRBN-UHFFFAOYSA-N
MW455.75 g/mol
LogP5.38
Rot. Bonds5

About 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide

3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide (PubChem CID 59485472) has the molecular formula C19H13Cl3N2O3S and a molecular weight of 455.75 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
PubChem CID59485472
Molecular FormulaC19H13Cl3N2O3S
Molecular Weight455.75 g/mol
Exact Mass453.97
IUPAC Name3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C19H13Cl3N2O3S/c1-11-2-3-12(10-23-11)19(25)15-8-13(20)4-7-18(15)24-28(26,27)14-5-6-16(21)17(22)9-14/h2-10,24H,1H3
InChIKeyMDYJRLRTSPIRBN-UHFFFAOYSA-N
XLogP5.38
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.75
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10387892
N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 59788722
N-[4-chloro-2-(6-chloropyridine-3-carbonyl)phenyl]-4-prop-1-en-2-ylbenzenesulfonamide
CID 88856886
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
N-[4-chloro-2-methyl-6-(6-methylpyridine-3-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 143141192
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(2-chloro-4-sulfamoylphenyl)-6-methylpyridine-3-carboxamide
CID 43134081
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
4-tert-butyl-N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10096486
[5-chloro-2-[(4-propan-2-yloxyphenyl)sulfanylamino]phenyl]-(6-methyl-3-pyridinyl)methanone
CID 142899343

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide (CID 59485472) is 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is MDYJRLRTSPIRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3S/c1-11-2-3-12(10-23-11)19(25)15-8-13(20)4-7-18(15)24-28(26,27)14-5-6-16(21)17(22)9-14/h2-10,24H,1H3.
What are the key properties of 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 455.75 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 59485472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).