4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide

C28H25ClN2O4S — CID 1361816

IUPAC4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H25ClN2O4S/c1-20-12-17-23(29)18-26(20)31(36(33,34)24-8-4-3-5-9-24)19-21-13-15-22(16-14-21)28(32)30-25-10-6-7-11-27(25)35-2/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyWLOSNXFXZQZJLQ-UHFFFAOYSA-N
MW521.04 g/mol
LogP6.30
Rot. Bonds8

About 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide

4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide (PubChem CID 1361816) has the molecular formula C28H25ClN2O4S and a molecular weight of 521.04 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide
PubChem CID1361816
Molecular FormulaC28H25ClN2O4S
Molecular Weight521.04 g/mol
Exact Mass520.12
IUPAC Name4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C28H25ClN2O4S/c1-20-12-17-23(29)18-26(20)31(36(33,34)24-8-4-3-5-9-24)19-21-13-15-22(16-14-21)28(32)30-25-10-6-7-11-27(25)35-2/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyWLOSNXFXZQZJLQ-UHFFFAOYSA-N
XLogP6.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.04
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-3,4-dimethyl-benzamide
CID 71449415
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,5-dimethyl-benzamide
CID 71454769
3,5-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]benzamide
CID 71456540
N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]-2,4-dimethyl-benzamide
CID 71458393
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
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
2,4-dichloro-N-[5-chloro-2-[2-(2-methyl-4-sulfamoyl-anilino)-2-oxo-ethoxy]phenyl]benzamide
CID 71458394
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-(3,4-dichlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984403

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide (CID 1361816) is 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide?
The InChIKey is WLOSNXFXZQZJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O4S/c1-20-12-17-23(29)18-26(20)31(36(33,34)24-8-4-3-5-9-24)19-21-13-15-22(16-14-21)28(32)30-25-10-6-7-11-27(25)35-2/h3-18H,19H2,1-2H3,(H,30,32).
What are the key properties of 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide?
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide has a molecular weight of 521.04 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 1361816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).