N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide

C13H18ClN3O3S — CID 63140289

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CCNC1
InChIInChI=1S/C13H18ClN3O3S/c1-13(5-6-15-8-13)12(18)16-9-3-4-11(10(14)7-9)17-21(2,19)20/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyQNPNWUPYDNKXDJ-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.65
Rot. Bonds4

About N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide

N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63140289) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63140289
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CCNC1
InChIInChI=1S/C13H18ClN3O3S/c1-13(5-6-15-8-13)12(18)16-9-3-4-11(10(14)7-9)17-21(2,19)20/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyQNPNWUPYDNKXDJ-UHFFFAOYSA-N
XLogP1.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63141374

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide (CID 63140289) is N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CCNC1.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is QNPNWUPYDNKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-13(5-6-15-8-13)12(18)16-9-3-4-11(10(14)7-9)17-21(2,19)20/h3-4,7,15,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).