N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide

C12H18N2O2S — CID 65419614

IUPACN-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCNC2)c(C)c1
InChIInChI=1S/C12H18N2O2S/c1-9-3-4-12(10(2)7-9)14-17(15,16)11-5-6-13-8-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3
InChIKeyIHZZTSGADNRDCA-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.41
Rot. Bonds3

About N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide

N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide (PubChem CID 65419614) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
PubChem CID65419614
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCNC2)c(C)c1
InChIInChI=1S/C12H18N2O2S/c1-9-3-4-12(10(2)7-9)14-17(15,16)11-5-6-13-8-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3
InChIKeyIHZZTSGADNRDCA-UHFFFAOYSA-N
XLogP1.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide (CID 65419614) is N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide is Cc1ccc(NS(=O)(=O)C2CCNC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is IHZZTSGADNRDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-3-4-12(10(2)7-9)14-17(15,16)11-5-6-13-8-11/h3-4,7,11,13-14H,5-6,8H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide?
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65419614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).