(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide

C12H16ClN3O3S — CID 104900746

IUPAC(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H16ClN3O3S/c1-20(18,19)16-10-5-4-8(7-9(10)13)15-12(17)11-3-2-6-14-11/h4-5,7,11,14,16H,2-3,6H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyLQQYVSMNCHDMLS-LLVKDONJSA-N
MW317.80 g/mol
LogP1.40
Rot. Bonds4

About (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide

(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide (PubChem CID 104900746) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
PubChem CID104900746
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H16ClN3O3S/c1-20(18,19)16-10-5-4-8(7-9(10)13)15-12(17)11-3-2-6-14-11/h4-5,7,11,14,16H,2-3,6H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyLQQYVSMNCHDMLS-LLVKDONJSA-N
XLogP1.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
N-[4-(methanesulfonamido)-3-methoxyphenyl]piperidine-2-carboxamide;hydrochloride
CID 119282638
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982696
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide (CID 104900746) is (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCN2)cc1Cl.
What is the InChIKey of (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is LQQYVSMNCHDMLS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-20(18,19)16-10-5-4-8(7-9(10)13)15-12(17)11-3-2-6-14-11/h4-5,7,11,14,16H,2-3,6H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide?
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104900746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).