N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

C14H19N3O3S — CID 60711574

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CCCN1
InChIInChI=1S/C14H19N3O3S/c18-14(13-5-2-8-15-13)16-11-3-1-4-12(9-11)21(19,20)17-10-6-7-10/h1,3-4,9-10,13,15,17H,2,5-8H2,(H,16,18)
InChIKeyDBGCWENPMKYHCG-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.82
Rot. Bonds5

About N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide

N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60711574) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID60711574
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CCCN1
InChIInChI=1S/C14H19N3O3S/c18-14(13-5-2-8-15-13)16-11-3-1-4-12(9-11)21(19,20)17-10-6-7-10/h1,3-4,9-10,13,15,17H,2,5-8H2,(H,16,18)
InChIKeyDBGCWENPMKYHCG-UHFFFAOYSA-N
XLogP0.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103809348
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[3-(benzenesulfonylmethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119320762
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 42888967
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460
(2S)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide
CID 57448471
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589
(2R)-N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66617453
N-[3-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 66617454

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide (CID 60711574) is N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)C1CCCN1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DBGCWENPMKYHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14(13-5-2-8-15-13)16-11-3-1-4-12(9-11)21(19,20)17-10-6-7-10/h1,3-4,9-10,13,15,17H,2,5-8H2,(H,16,18).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60711574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).