N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide

C12H17N3O3S — CID 43710867

IUPACN-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-10-6-3-2-5-9(10)14-12(16)11-7-4-8-13-11/h2-3,5-6,11,13,15H,4,7-8H2,1H3,(H,14,16)
InChIKeyYJCBPEYUJJMWTQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.75
Rot. Bonds4

About N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide

N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide (PubChem CID 43710867) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
PubChem CID43710867
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CCCN1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)15-10-6-3-2-5-9(10)14-12(16)11-7-4-8-13-11/h2-3,5-6,11,13,15H,4,7-8H2,1H3,(H,14,16)
InChIKeyYJCBPEYUJJMWTQ-UHFFFAOYSA-N
XLogP0.75
TPSA87.30 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 ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 18072250
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
N-(2-sulfamoylphenyl)piperidine-2-carboxamide
CID 61130085

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide (CID 43710867) is N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide is CS(=O)(=O)Nc1ccccc1NC(=O)C1CCCN1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YJCBPEYUJJMWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)15-10-6-3-2-5-9(10)14-12(16)11-7-4-8-13-11/h2-3,5-6,11,13,15H,4,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43710867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).