N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide

C12H16N2O3S — CID 64867866

IUPACN-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCCN2)cc1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)14-10-6-4-9(5-7-10)12(15)11-3-2-8-13-11/h4-7,11,13-14H,2-3,8H2,1H3
InChIKeyFDUJLXGLUVHFPT-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.99
Rot. Bonds4

About N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide

N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide (PubChem CID 64867866) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
PubChem CID64867866
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)C2CCCN2)cc1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)14-10-6-4-9(5-7-10)12(15)11-3-2-8-13-11/h4-7,11,13-14H,2-3,8H2,1H3
InChIKeyFDUJLXGLUVHFPT-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(piperidine-2-carbonyl)phenyl]ethanesulfonamide
CID 64868078
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
(4-bromophenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 42076627
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
[4-(hydroxymethyl)phenyl]-[(2R)-pyrrolidin-2-yl]methanone
CID 57323043
N-[4-(oxane-4-carbonyl)phenyl]methanesulfonamide
CID 62907557
N-[4-[[4-(methanesulfonamido)phenyl]-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]phenyl]methanesulfonamide
CID 10769741
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide (CID 64867866) is N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide?
The InChIKey is FDUJLXGLUVHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)14-10-6-4-9(5-7-10)12(15)11-3-2-8-13-11/h4-7,11,13-14H,2-3,8H2,1H3.
What are the key properties of N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide?
N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrrolidine-2-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 64867866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).