4-(benzenesulfonamido)-N-cyclooctylbenzamide

C21H26N2O3S — CID 24635133

IUPAC4-(benzenesulfonamido)-N-cyclooctylbenzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c24-21(22-18-9-5-2-1-3-6-10-18)17-13-15-19(16-14-17)23-27(25,26)20-11-7-4-8-12-20/h4,7-8,11-16,18,23H,1-3,5-6,9-10H2,(H,22,24)
InChIKeyLSLAPOMBSTTZDN-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.33
Rot. Bonds5

About 4-(benzenesulfonamido)-N-cyclooctylbenzamide

4-(benzenesulfonamido)-N-cyclooctylbenzamide (PubChem CID 24635133) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-cyclooctylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-cyclooctylbenzamide
PubChem CID24635133
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(benzenesulfonamido)-N-cyclooctylbenzamide
SMILESO=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c24-21(22-18-9-5-2-1-3-6-10-18)17-13-15-19(16-14-17)23-27(25,26)20-11-7-4-8-12-20/h4,7-8,11-16,18,23H,1-3,5-6,9-10H2,(H,22,24)
InChIKeyLSLAPOMBSTTZDN-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386307
4-(benzenesulfonamido)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55705458
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-cyclopropylbenzamide
CID 34281161
N-cyclopentyl-4-[[4-[(1S)-1-hydroxyethyl]phenyl]sulfonylamino]benzamide
CID 41105553
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561
3-(benzenesulfonamido)-N-cyclooctyl-4-methylbenzamide
CID 19062588
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-cyclooctylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-cyclooctylbenzamide (CID 24635133) is 4-(benzenesulfonamido)-N-cyclooctylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-cyclooctylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-cyclooctylbenzamide is O=C(NC1CCCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-cyclooctylbenzamide?
The InChIKey is LSLAPOMBSTTZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(22-18-9-5-2-1-3-6-10-18)17-13-15-19(16-14-17)23-27(25,26)20-11-7-4-8-12-20/h4,7-8,11-16,18,23H,1-3,5-6,9-10H2,(H,22,24).
What are the key properties of 4-(benzenesulfonamido)-N-cyclooctylbenzamide?
4-(benzenesulfonamido)-N-cyclooctylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-cyclooctylbenzamide is sourced from PubChem (CID 24635133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).