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

C12H18ClN3O3S — CID 119263305

IUPACN-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C12H17N3O3S.ClH/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);1H
InChIKeyLVQCVHBMRPBQIX-UHFFFAOYSA-N
MW319.81 g/mol
LogP0.12
Rot. Bonds4

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

N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119263305) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119263305
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC NameN-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNC(=O)C2CCCN2)cc1
InChIInChI=1S/C12H17N3O3S.ClH/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);1H
InChIKeyLVQCVHBMRPBQIX-UHFFFAOYSA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
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
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
(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-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119263305) is N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CNC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LVQCVHBMRPBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S.ClH/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);1H.
What are the key properties of N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 319.81 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119263305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).