4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide

C21H18Cl2N2O3S — CID 143262676

IUPAC4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide
SMILESCOc1cccc(C)c1C(=O)c1ncc(Cl)cc1NS(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-12-5-4-6-18(28-3)19(12)21(26)20-17(10-14(22)11-24-20)25-29(27)15-7-8-16(23)13(2)9-15/h4-11,25H,1-3H3
InChIKeyAEWZDJNUFKRVIB-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.38
Rot. Bonds6

About 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide

4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide (PubChem CID 143262676) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide
PubChem CID143262676
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide
SMILESCOc1cccc(C)c1C(=O)c1ncc(Cl)cc1NS(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-12-5-4-6-18(28-3)19(12)21(26)20-17(10-14(22)11-24-20)25-29(27)15-7-8-16(23)13(2)9-15/h4-11,25H,1-3H3
InChIKeyAEWZDJNUFKRVIB-UHFFFAOYSA-N
XLogP5.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-3-(methylamino)-2-pyridinyl]-(2,4-dimethyl-3-pyridinyl)methanone
CID 143610377
(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82807772
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 143262644
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
3,4-dichloro-N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]benzenesulfinamide
CID 143609958
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide (CID 143262676) is 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide is COc1cccc(C)c1C(=O)c1ncc(Cl)cc1NS(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide?
The InChIKey is AEWZDJNUFKRVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-12-5-4-6-18(28-3)19(12)21(26)20-17(10-14(22)11-24-20)25-29(27)15-7-8-16(23)13(2)9-15/h4-11,25H,1-3H3.
What are the key properties of 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide?
4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide has a molecular weight of 449.36 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(2-methoxy-6-methylbenzoyl)-3-pyridinyl]-3-methylbenzenesulfinamide is sourced from PubChem (CID 143262676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).