3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide

C21H26N2O3S — CID 19062561

IUPAC3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-16-13-14-17(21(24)22-18-9-5-2-3-6-10-18)15-20(16)23-27(25,26)19-11-7-4-8-12-19/h4,7-8,11-15,18,23H,2-3,5-6,9-10H2,1H3,(H,22,24)
InChIKeyVIAQOJBYSHQPOV-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.25
Rot. Bonds5

About 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide

3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide (PubChem CID 19062561) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
PubChem CID19062561
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-16-13-14-17(21(24)22-18-9-5-2-3-6-10-18)15-20(16)23-27(25,26)19-11-7-4-8-12-19/h4,7-8,11-15,18,23H,2-3,5-6,9-10H2,1H3,(H,22,24)
InChIKeyVIAQOJBYSHQPOV-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
N-cyclopentyl-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2223474
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
2-(benzenesulfonamido)-N-cycloheptylbenzamide
CID 126412627
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
N-cyclooctyl-3-[(4-methylphenyl)sulfonylamino]-4-pyrrolidin-1-ylbenzamide
CID 20968018
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide (CID 19062561) is 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCCC2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide?
The InChIKey is VIAQOJBYSHQPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-13-14-17(21(24)22-18-9-5-2-3-6-10-18)15-20(16)23-27(25,26)19-11-7-4-8-12-19/h4,7-8,11-15,18,23H,2-3,5-6,9-10H2,1H3,(H,22,24).
What are the key properties of 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide?
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide is sourced from PubChem (CID 19062561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).