N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide

C11H14N2O3S — CID 95968969

IUPACN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESO=C1CC[C@H](CNS(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C11H14N2O3S/c14-11-7-6-9(13-11)8-12-17(15,16)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,13,14)/t9-/m1/s1
InChIKeyKGDGLJPYBBUNBB-SECBINFHSA-N
MW254.31 g/mol
LogP0.24
Rot. Bonds4

About N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide

N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide (PubChem CID 95968969) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
PubChem CID95968969
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
SMILESO=C1CC[C@H](CNS(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C11H14N2O3S/c14-11-7-6-9(13-11)8-12-17(15,16)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,13,14)/t9-/m1/s1
InChIKeyKGDGLJPYBBUNBB-SECBINFHSA-N
XLogP0.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-fluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 82843661
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64600942
N-[(5-oxopyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
CID 104773905
5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64601137
(5R)-5-benzylpyrrolidin-2-one
CID 740530
N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66005680
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911700
(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279
5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79959373
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide (CID 95968969) is N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide is O=C1CC[C@H](CNS(=O)(=O)c2ccccc2)N1.
What is the InChIKey of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide?
The InChIKey is KGDGLJPYBBUNBB-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-11-7-6-9(13-11)8-12-17(15,16)10-4-2-1-3-5-10/h1-5,9,12H,6-8H2,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide?
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 95968969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).