N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide

C21H18ClN3O4S — CID 55981241

IUPACN-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H18ClN3O4S/c1-14(26)23-17-11-12-19(22)20(13-17)24-21(27)15-7-9-16(10-8-15)25-30(28,29)18-5-3-2-4-6-18/h2-13,25H,1H3,(H,23,26)(H,24,27)
InChIKeyUJKGXHSMCALASG-UHFFFAOYSA-N
MW443.91 g/mol
LogP4.35
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide

N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide (PubChem CID 55981241) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
PubChem CID55981241
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC NameN-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C21H18ClN3O4S/c1-14(26)23-17-11-12-19(22)20(13-17)24-21(27)15-7-9-16(10-8-15)25-30(28,29)18-5-3-2-4-6-18/h2-13,25H,1H3,(H,23,26)(H,24,27)
InChIKeyUJKGXHSMCALASG-UHFFFAOYSA-N
XLogP4.35
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide
CID 4049236
N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55916990
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
3-(benzenesulfonamido)-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 1020081
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide (CID 55981241) is N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide?
The InChIKey is UJKGXHSMCALASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-14(26)23-17-11-12-19(22)20(13-17)24-21(27)15-7-9-16(10-8-15)25-30(28,29)18-5-3-2-4-6-18/h2-13,25H,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide?
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide has a molecular weight of 443.91 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide is sourced from PubChem (CID 55981241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).