4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide

C18H12Cl3N3O3S — CID 25048254

IUPAC4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)c1cnccc1Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O3S/c19-12-3-1-11(2-4-12)18(25)24-28(26,27)17-10-22-6-5-16(17)23-15-8-13(20)7-14(21)9-15/h1-10H,(H,22,23)(H,24,25)
InChIKeyBIXSYSOSBXZLPC-UHFFFAOYSA-N
MW456.74 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide

4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide (PubChem CID 25048254) has the molecular formula C18H12Cl3N3O3S and a molecular weight of 456.74 g/mol. Its IUPAC name is 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide
PubChem CID25048254
Molecular FormulaC18H12Cl3N3O3S
Molecular Weight456.74 g/mol
Exact Mass454.97
IUPAC Name4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide
SMILESO=C(NS(=O)(=O)c1cnccc1Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O3S/c19-12-3-1-11(2-4-12)18(25)24-28(26,27)17-10-22-6-5-16(17)23-15-8-13(20)7-14(21)9-15/h1-10H,(H,22,23)(H,24,25)
InChIKeyBIXSYSOSBXZLPC-UHFFFAOYSA-N
XLogP4.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.74
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
CID 3043795
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
3-bromo-N-(3,5-dichlorophenyl)pyridin-4-amine
CID 104777922
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
N-(4-chlorophenyl)sulfonyl-4-pyridin-3-yloxybenzamide
CID 60589032
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
4-chloro-N-quinolin-5-ylsulfonylbenzamide
CID 154806109
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
sodium N-(4-chlorobenzoyl)sulfamate
CID 23702299
N'-(4-chlorobenzoyl)pyridine-4-carbohydrazide
CID 960057

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide (CID 25048254) is 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide is O=C(NS(=O)(=O)c1cnccc1Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide?
The InChIKey is BIXSYSOSBXZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3O3S/c19-12-3-1-11(2-4-12)18(25)24-28(26,27)17-10-22-6-5-16(17)23-15-8-13(20)7-14(21)9-15/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide?
4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide has a molecular weight of 456.74 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(3,5-dichloroanilino)-3-pyridinyl]sulfonyl]benzamide is sourced from PubChem (CID 25048254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).