4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide

C20H17Cl2FN2O4S — CID 143262644

IUPAC4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOc1cccc(F)c1C(O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H17Cl2FN2O4S/c1-11-8-13(6-7-14(11)22)30(27,28)25-16-9-12(21)10-24-19(16)20(26)18-15(23)4-3-5-17(18)29-2/h3-10,20,25-26H,1-2H3
InChIKeyNJGIRLJCOAIELK-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.73
Rot. Bonds6

About 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide

4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 143262644) has the molecular formula C20H17Cl2FN2O4S and a molecular weight of 471.34 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID143262644
Molecular FormulaC20H17Cl2FN2O4S
Molecular Weight471.34 g/mol
Exact Mass470.03
IUPAC Name4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOc1cccc(F)c1C(O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C20H17Cl2FN2O4S/c1-11-8-13(6-7-14(11)22)30(27,28)25-16-9-12(21)10-24-19(16)20(26)18-15(23)4-3-5-17(18)29-2/h3-10,20,25-26H,1-2H3
InChIKeyNJGIRLJCOAIELK-UHFFFAOYSA-N
XLogP4.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
methyl 2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-6-fluorobenzoate
CID 59849998
3-bromo-N-[5-chloro-2-(2-fluoro-6-methoxybenzoyl)-3-pyridinyl]-4-(trifluoromethyl)benzenesulfonamide
CID 11699761
5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
CID 58268152
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
N-(2-bromo-5-chloro-3-pyridinyl)-4-chloro-N-(methoxymethyl)-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(6-fluoro-2-oxo-3H-1,3-benzoxazole-7-carbonyl)-3-pyridinyl]-3-methylbenzenesulfonamide;bis(4-chloro-N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-3-methylbenzenesulfonamide);6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride
CID 159312502
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide (CID 143262644) is 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide is COc1cccc(F)c1C(O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is NJGIRLJCOAIELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O4S/c1-11-8-13(6-7-14(11)22)30(27,28)25-16-9-12(21)10-24-19(16)20(26)18-15(23)4-3-5-17(18)29-2/h3-10,20,25-26H,1-2H3.
What are the key properties of 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide?
4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 471.34 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 143262644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).