2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

C14H18N2O2S — CID 110721152

IUPAC2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCn1cccc1
InChIInChI=1S/C14H18N2O2S/c1-13-7-2-3-8-14(13)19(17,18)15-9-6-12-16-10-4-5-11-16/h2-5,7-8,10-11,15H,6,9,12H2,1H3
InChIKeyRBLUEJRLZYEMRN-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.17
Rot. Bonds6

About 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (PubChem CID 110721152) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
PubChem CID110721152
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCCCn1cccc1
InChIInChI=1S/C14H18N2O2S/c1-13-7-2-3-8-14(13)19(17,18)15-9-6-12-16-10-4-5-11-16/h2-5,7-8,10-11,15H,6,9,12H2,1H3
InChIKeyRBLUEJRLZYEMRN-UHFFFAOYSA-N
XLogP2.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721154
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
N-(6-chlorohexyl)-2-methylbenzenesulfonamide
CID 107849171
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
2-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719352
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2-methyl-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 113248054
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
N-(3-bromobutyl)-2-methylbenzenesulfonamide
CID 114297703
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (CID 110721152) is 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCCCn1cccc1.
What is the InChIKey of 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The InChIKey is RBLUEJRLZYEMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-13-7-2-3-8-14(13)19(17,18)15-9-6-12-16-10-4-5-11-16/h2-5,7-8,10-11,15H,6,9,12H2,1H3.
What are the key properties of 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 110721152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).