N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide

C17H24N2O3S — CID 1262175

IUPACN-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O3S/c20-17(18-15-8-2-3-9-15)14-7-6-10-16(13-14)23(21,22)19-11-4-1-5-12-19/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,18,20)
InChIKeySBWQRAUSKHEQAX-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.53
Rot. Bonds4

About N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide

N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1262175) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1262175
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O3S/c20-17(18-15-8-2-3-9-15)14-7-6-10-16(13-14)23(21,22)19-11-4-1-5-12-19/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,18,20)
InChIKeySBWQRAUSKHEQAX-UHFFFAOYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide (CID 1262175) is N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide is O=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SBWQRAUSKHEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-15-8-2-3-9-15)14-7-6-10-16(13-14)23(21,22)19-11-4-1-5-12-19/h6-7,10,13,15H,1-5,8-9,11-12H2,(H,18,20).
What are the key properties of N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide?
N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1262175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).