4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide

C19H21ClN2O3S — CID 45272909

IUPAC4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-4-3-7-18(12-16)26(24,25)21-13-14-8-10-15(11-9-14)19(23)22-17-5-1-2-6-17/h3-4,7-12,17,21H,1-2,5-6,13H2,(H,22,23)
InChIKeyYNLWVRZQLQGABT-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.49
Rot. Bonds6

About 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide

4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide (PubChem CID 45272909) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide
PubChem CID45272909
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-16-4-3-7-18(12-16)26(24,25)21-13-14-8-10-15(11-9-14)19(23)22-17-5-1-2-6-17/h3-4,7-12,17,21H,1-2,5-6,13H2,(H,22,23)
InChIKeyYNLWVRZQLQGABT-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide?
The IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide (CID 45272909) is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide.
What is the SMILES notation for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide?
The canonical SMILES for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide is O=C(NC1CCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide?
The InChIKey is YNLWVRZQLQGABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-16-4-3-7-18(12-16)26(24,25)21-13-14-8-10-15(11-9-14)19(23)22-17-5-1-2-6-17/h3-4,7-12,17,21H,1-2,5-6,13H2,(H,22,23).
What are the key properties of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide?
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclopentylbenzamide is sourced from PubChem (CID 45272909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).