(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide

C12H17N3O3S — CID 22691434

IUPAC(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C12H17N3O3S/c13-19(17,18)10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2,(H,15,16)(H2,13,17,18)/t11-/m0/s1
InChIKeyNWKUSMLXDUQRNY-NSHDSACASA-N
MW283.35 g/mol
LogP-0.30
Rot. Bonds4

About (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 22691434) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID22691434
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C12H17N3O3S/c13-19(17,18)10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2,(H,15,16)(H2,13,17,18)/t11-/m0/s1
InChIKeyNWKUSMLXDUQRNY-NSHDSACASA-N
XLogP-0.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 114422610
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide (CID 22691434) is (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NWKUSMLXDUQRNY-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-19(17,18)10-5-3-9(4-6-10)8-15-12(16)11-2-1-7-14-11/h3-6,11,14H,1-2,7-8H2,(H,15,16)(H2,13,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22691434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).