N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide

C18H18ClN3O4S — CID 39851862

IUPACN-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C18H18ClN3O4S/c1-11(23)20-14-7-8-16(19)17(10-14)21-18(24)12-3-2-4-15(9-12)27(25,26)22-13-5-6-13/h2-4,7-10,13,22H,5-6H2,1H3,(H,20,23)(H,21,24)
InChIKeyRZYHDGSNRBAVMK-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.99
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide

N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 39851862) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
PubChem CID39851862
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1
InChIInChI=1S/C18H18ClN3O4S/c1-11(23)20-14-7-8-16(19)17(10-14)21-18(24)12-3-2-4-15(9-12)27(25,26)22-13-5-6-13/h2-4,7-10,13,22H,5-6H2,1H3,(H,20,23)(H,21,24)
InChIKeyRZYHDGSNRBAVMK-UHFFFAOYSA-N
XLogP2.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55763086
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-(3-propan-2-ylphenyl)benzamide
CID 42236607
N-(2-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55577445
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809147
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide (CID 39851862) is N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is RZYHDGSNRBAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-11(23)20-14-7-8-16(19)17(10-14)21-18(24)12-3-2-4-15(9-12)27(25,26)22-13-5-6-13/h2-4,7-10,13,22H,5-6H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide?
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 407.88 g/mol, XLogP of 2.99, 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)-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 39851862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).