N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide

C16H22N2O3S — CID 651115

IUPACN-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3S/c19-16(17-14-5-1-2-6-14)13-7-9-15(10-8-13)22(20,21)18-11-3-4-12-18/h7-10,14H,1-6,11-12H2,(H,17,19)
InChIKeyKNYYZOJWHGOUEK-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide

N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 651115) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID651115
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O3S/c19-16(17-14-5-1-2-6-14)13-7-9-15(10-8-13)22(20,21)18-11-3-4-12-18/h7-10,14H,1-6,11-12H2,(H,17,19)
InChIKeyKNYYZOJWHGOUEK-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide (CID 651115) is N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KNYYZOJWHGOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(17-14-5-1-2-6-14)13-7-9-15(10-8-13)22(20,21)18-11-3-4-12-18/h7-10,14H,1-6,11-12H2,(H,17,19).
What are the key properties of N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 651115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).