N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

C15H20N2O3S — CID 154839161

IUPACN-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-4-3-9-17(11)15(18)12-5-2-6-14(10-12)21(19,20)16-13-7-8-13/h2,5-6,10-11,13,16H,3-4,7-9H2,1H3
InChIKeyFIYBHHIGWGWBKN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.75
Rot. Bonds4

About N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide

N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 154839161) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID154839161
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H20N2O3S/c1-11-4-3-9-17(11)15(18)12-5-2-6-14(10-12)21(19,20)16-13-7-8-13/h2,5-6,10-11,13,16H,3-4,7-9H2,1H3
InChIKeyFIYBHHIGWGWBKN-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 124732357
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
N-ethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 93232744
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 91944122
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
4-(2-methylpyrrolidine-1-carbonyl)-N-(oxan-4-yl)benzenesulfonamide
CID 70710461
N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 46637078
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
methyl 3-[(2S)-2-methylpyrrolidine-1-carbonyl]benzoate
CID 138479596
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
N-(3-imidazol-1-ylpropyl)-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 74246850

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 154839161) is N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is CC1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is FIYBHHIGWGWBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11-4-3-9-17(11)15(18)12-5-2-6-14(10-12)21(19,20)16-13-7-8-13/h2,5-6,10-11,13,16H,3-4,7-9H2,1H3.
What are the key properties of N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 154839161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).