N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C22H21ClN2O4S — CID 1255251

IUPACN-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-4-7-17(23)14-21(15)24-22(26)16-5-8-18(9-6-16)25(2)30(27,28)20-12-10-19(29-3)11-13-20/h4-14H,1-3H3,(H,24,26)
InChIKeyARSAMCAJZMDRBW-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.73
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 1255251) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID1255251
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-15-4-7-17(23)14-21(15)24-22(26)16-5-8-18(9-6-16)25(2)30(27,28)20-12-10-19(29-3)11-13-20/h4-14H,1-3H3,(H,24,26)
InChIKeyARSAMCAJZMDRBW-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265291
N-(5-chloro-2-methylphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227239
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
N-(4-bromo-3-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1252221
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(4-propan-2-ylphenyl)benzamide
CID 1289268
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
CID 5200570
N-(2-methoxyethyl)-2-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoyl]amino]benzamide
CID 2225095
2-[(2,5-dichlorobenzoyl)amino]-5-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]benzoic acid
CID 44513543
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(4-chloro-2-methylphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 24513051
4-chloro-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-propan-2-ylbenzamide
CID 55807376

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 1255251) is N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is ARSAMCAJZMDRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-4-7-17(23)14-21(15)24-22(26)16-5-8-18(9-6-16)25(2)30(27,28)20-12-10-19(29-3)11-13-20/h4-14H,1-3H3,(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 444.94 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 1255251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).