2-(benzenesulfonamido)-N-cycloheptylbenzamide

C20H24N2O3S — CID 126412627

IUPAC2-(benzenesulfonamido)-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-20(21-16-10-4-1-2-5-11-16)18-14-8-9-15-19(18)22-26(24,25)17-12-6-3-7-13-17/h3,6-9,12-16,22H,1-2,4-5,10-11H2,(H,21,23)
InChIKeyJRULBOZDDQKOIZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.94
Rot. Bonds5

About 2-(benzenesulfonamido)-N-cycloheptylbenzamide

2-(benzenesulfonamido)-N-cycloheptylbenzamide (PubChem CID 126412627) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-cycloheptylbenzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-cycloheptylbenzamide
PubChem CID126412627
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-(benzenesulfonamido)-N-cycloheptylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-20(21-16-10-4-1-2-5-11-16)18-14-8-9-15-19(18)22-26(24,25)17-12-6-3-7-13-17/h3,6-9,12-16,22H,1-2,4-5,10-11H2,(H,21,23)
InChIKeyJRULBOZDDQKOIZ-UHFFFAOYSA-N
XLogP3.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(cyclopentylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 17496883
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
CID 17234061
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641
N-cycloheptyl-2-(propan-2-ylamino)benzamide
CID 63107657

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-cycloheptylbenzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-cycloheptylbenzamide (CID 126412627) is 2-(benzenesulfonamido)-N-cycloheptylbenzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-cycloheptylbenzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-cycloheptylbenzamide is O=C(NC1CCCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-cycloheptylbenzamide?
The InChIKey is JRULBOZDDQKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(21-16-10-4-1-2-5-11-16)18-14-8-9-15-19(18)22-26(24,25)17-12-6-3-7-13-17/h3,6-9,12-16,22H,1-2,4-5,10-11H2,(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-cycloheptylbenzamide?
2-(benzenesulfonamido)-N-cycloheptylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-cycloheptylbenzamide is sourced from PubChem (CID 126412627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).