N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide

C15H21N3O4S — CID 110127649

IUPACN-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide
SMILESO=C1CN([C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CCN1
InChIInChI=1S/C15H21N3O4S/c19-14-10-18(9-8-16-14)13-7-6-12(15(13)20)17-23(21,22)11-4-2-1-3-5-11/h1-5,12-13,15,17,20H,6-10H2,(H,16,19)/t12-,13-,15-/m1/s1
InChIKeyBENBALUZHDXFHJ-UMVBOHGHSA-N
MW339.42 g/mol
LogP-0.71
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide

N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide (PubChem CID 110127649) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide
PubChem CID110127649
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide
SMILESO=C1CN([C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CCN1
InChIInChI=1S/C15H21N3O4S/c19-14-10-18(9-8-16-14)13-7-6-12(15(13)20)17-23(21,22)11-4-2-1-3-5-11/h1-5,12-13,15,17,20H,6-10H2,(H,16,19)/t12-,13-,15-/m1/s1
InChIKeyBENBALUZHDXFHJ-UMVBOHGHSA-N
XLogP-0.71
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide (CID 110127649) is N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide is O=C1CN([C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3)[C@H]2O)CCN1.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide?
The InChIKey is BENBALUZHDXFHJ-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H21N3O4S/c19-14-10-18(9-8-16-14)13-7-6-12(15(13)20)17-23(21,22)11-4-2-1-3-5-11/h1-5,12-13,15,17,20H,6-10H2,(H,16,19)/t12-,13-,15-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide?
N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 110127649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).