4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide

C19H22N2O3S — CID 1106330

IUPAC4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide
SMILESCN(c1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-21(25(23,24)18-9-3-2-4-10-18)17-13-11-15(12-14-17)19(22)20-16-7-5-6-8-16/h2-4,9-14,16H,5-8H2,1H3,(H,20,22)
InChIKeyDBJIVBDIKOMSGF-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.18
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide

4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide (PubChem CID 1106330) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide
PubChem CID1106330
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide
SMILESCN(c1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-21(25(23,24)18-9-3-2-4-10-18)17-13-11-15(12-14-17)19(22)20-16-7-5-6-8-16/h2-4,9-14,16H,5-8H2,1H3,(H,20,22)
InChIKeyDBJIVBDIKOMSGF-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide (CID 1106330) is 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide is CN(c1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide?
The InChIKey is DBJIVBDIKOMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(25(23,24)18-9-3-2-4-10-18)17-13-11-15(12-14-17)19(22)20-16-7-5-6-8-16/h2-4,9-14,16H,5-8H2,1H3,(H,20,22).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide?
4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 1106330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).