N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C22H24N2O3S — CID 91944122

IUPACN-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCCC1C=Cc1ccccc1
InChIInChI=1S/C22H24N2O3S/c25-22(18-8-4-10-21(16-18)28(26,27)23-19-12-13-19)24-15-5-9-20(24)14-11-17-6-2-1-3-7-17/h1-4,6-8,10-11,14,16,19-20,23H,5,9,12-13,15H2
InChIKeyRPAUXOVQYPSDMY-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.45
Rot. Bonds6

About N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 91944122) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID91944122
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCCC1C=Cc1ccccc1
InChIInChI=1S/C22H24N2O3S/c25-22(18-8-4-10-21(16-18)28(26,27)23-19-12-13-19)24-15-5-9-20(24)14-11-17-6-2-1-3-7-17/h1-4,6-8,10-11,14,16,19-20,23H,5,9,12-13,15H2
InChIKeyRPAUXOVQYPSDMY-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
N-cyclopropyl-3-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 124732357
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 46637078
(E)-3-[3-(cyclobutylsulfamoyl)phenyl]prop-2-enoic acid
CID 55066889
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 91944122) is N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCCC1C=Cc1ccccc1.
What is the InChIKey of N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is RPAUXOVQYPSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c25-22(18-8-4-10-21(16-18)28(26,27)23-19-12-13-19)24-15-5-9-20(24)14-11-17-6-2-1-3-7-17/h1-4,6-8,10-11,14,16,19-20,23H,5,9,12-13,15H2.
What are the key properties of N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 396.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(2-phenylethenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 91944122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).