4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide

C19H21ClN2O3S — CID 92685822

IUPAC4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c20-17-13-14(19(23)21-15-7-3-1-4-8-15)11-12-18(17)22-26(24,25)16-9-5-2-6-10-16/h2,5-6,9-13,15,22H,1,3-4,7-8H2,(H,21,23)
InChIKeyROCKNNMACOQLIA-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.20
Rot. Bonds5

About 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide

4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide (PubChem CID 92685822) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
PubChem CID92685822
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c20-17-13-14(19(23)21-15-7-3-1-4-8-15)11-12-18(17)22-26(24,25)16-9-5-2-6-10-16/h2,5-6,9-13,15,22H,1,3-4,7-8H2,(H,21,23)
InChIKeyROCKNNMACOQLIA-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
4-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214488
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214869
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide (CID 92685822) is 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide is O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide?
The InChIKey is ROCKNNMACOQLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-17-13-14(19(23)21-15-7-3-1-4-8-15)11-12-18(17)22-26(24,25)16-9-5-2-6-10-16/h2,5-6,9-13,15,22H,1,3-4,7-8H2,(H,21,23).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide?
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide is sourced from PubChem (CID 92685822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).