N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C15H22N2O3S — CID 109058905

IUPACN-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-16-21(19,20)14-7-5-13(6-8-14)15(18)17-9-3-4-10-17/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyMWKJBHLPDBMKMU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.86
Rot. Bonds5

About N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 109058905) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID109058905
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-16-21(19,20)14-7-5-13(6-8-14)15(18)17-9-3-4-10-17/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyMWKJBHLPDBMKMU-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256710
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 146087240
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120804882
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 109058905) is N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is MWKJBHLPDBMKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(2)11-16-21(19,20)14-7-5-13(6-8-14)15(18)17-9-3-4-10-17/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109058905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).