4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide

C18H12Cl2N2O3S — CID 10386667

IUPAC4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O3S/c19-13-3-6-15(7-4-13)26(24,25)22-17-8-5-14(20)10-16(17)18(23)12-2-1-9-21-11-12/h1-11,22H
InChIKeyCGOVSCBPOQOMIP-UHFFFAOYSA-N
MW407.28 g/mol
LogP4.42
Rot. Bonds5

About 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide

4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide (PubChem CID 10386667) has the molecular formula C18H12Cl2N2O3S and a molecular weight of 407.28 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
PubChem CID10386667
Molecular FormulaC18H12Cl2N2O3S
Molecular Weight407.28 g/mol
Exact Mass405.99
IUPAC Name4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl2N2O3S/c19-13-3-6-15(7-4-13)26(24,25)22-17-8-5-14(20)10-16(17)18(23)12-2-1-9-21-11-12/h1-11,22H
InChIKeyCGOVSCBPOQOMIP-UHFFFAOYSA-N
XLogP4.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
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-[4-chloro-2-(pyridine-3-carbonyl)phenyl]naphthalene-2-sulfonamide;N-(4-chloro-2-pyridin-3-ylsulfonylphenyl)-4-nitrobenzenesulfonamide
CID 159841678
4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10387892
3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59485472
N-[4-chloro-2-(6-chloropyridine-3-carbonyl)phenyl]-4-prop-1-en-2-ylbenzenesulfonamide
CID 88856886
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
4-tert-butyl-N-[4-chloro-2-(3-methylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10094915
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 10073118
2-[4-[[4-chloro-2-(pyridine-4-carbonyl)phenyl]sulfamoyl]phenyl]-N,N,2-trimethylpropanamide
CID 20827654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide (CID 10386667) is 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide is O=C(c1cccnc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is CGOVSCBPOQOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3S/c19-13-3-6-15(7-4-13)26(24,25)22-17-8-5-14(20)10-16(17)18(23)12-2-1-9-21-11-12/h1-11,22H.
What are the key properties of 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide?
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 407.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10386667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).