N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide

C12H17N3O3S — CID 55150240

IUPACN-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)C2CCNC2)c1
InChIInChI=1S/C12H17N3O3S/c13-19(17,18)11-3-1-2-9(6-11)7-15-12(16)10-4-5-14-8-10/h1-3,6,10,14H,4-5,7-8H2,(H,15,16)(H2,13,17,18)
InChIKeyANDYDOLDGYWKOW-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.44
Rot. Bonds4

About N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide

N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 55150240) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID55150240
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)C2CCNC2)c1
InChIInChI=1S/C12H17N3O3S/c13-19(17,18)11-3-1-2-9(6-11)7-15-12(16)10-4-5-14-8-10/h1-3,6,10,14H,4-5,7-8H2,(H,15,16)(H2,13,17,18)
InChIKeyANDYDOLDGYWKOW-UHFFFAOYSA-N
XLogP-0.44
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 ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 119312856
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383

Frequently Asked Questions

What is the IUPAC name of N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide (CID 55150240) is N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide is NS(=O)(=O)c1cccc(CNC(=O)C2CCNC2)c1.
What is the InChIKey of N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ANDYDOLDGYWKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-19(17,18)11-3-1-2-9(6-11)7-15-12(16)10-4-5-14-8-10/h1-3,6,10,14H,4-5,7-8H2,(H,15,16)(H2,13,17,18).
What are the key properties of N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide?
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 283.35 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55150240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).