4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide

C20H16ClFN2O4S — CID 2460259

IUPAC4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H16ClFN2O4S/c1-28-19-5-3-2-4-18(19)23-20(25)13-6-8-14(9-7-13)24-29(26,27)15-10-11-17(22)16(21)12-15/h2-12,24H,1H3,(H,23,25)
InChIKeyKFNAWWUFIQYLQD-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.54
Rot. Bonds6

About 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 2460259) has the molecular formula C20H16ClFN2O4S and a molecular weight of 434.88 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID2460259
Molecular FormulaC20H16ClFN2O4S
Molecular Weight434.88 g/mol
Exact Mass434.05
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C20H16ClFN2O4S/c1-28-19-5-3-2-4-18(19)23-20(25)13-6-8-14(9-7-13)24-29(26,27)15-10-11-17(22)16(21)12-15/h2-12,24H,1H3,(H,23,25)
InChIKeyKFNAWWUFIQYLQD-UHFFFAOYSA-N
XLogP4.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608
(2-Benzamidophenyl) 4-methoxybenzenesulfonate
CID 9886310
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
4-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 973961
N-(3-chlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984406
4-fluoro-N-[2-methoxy-4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1078655
methyl 2-chloro-5-{[N-(2-methoxyphenyl)-N-(phenylsulfonyl)glycyl]amino}benzoate
CID 1295791
4-{[(5-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl}-N-(2-methoxyphenyl)benzamide
CID 1361816
4-(dimethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 1547898

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide (CID 2460259) is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is KFNAWWUFIQYLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O4S/c1-28-19-5-3-2-4-18(19)23-20(25)13-6-8-14(9-7-13)24-29(26,27)15-10-11-17(22)16(21)12-15/h2-12,24H,1H3,(H,23,25).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide?
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 434.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 2460259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).