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

C14H18N2O2S — CID 71053685

IUPAC4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2cccc2)cc1
InChIInChI=1S/C14H18N2O2S/c1-13-5-7-14(8-6-13)19(17,18)15-9-4-12-16-10-2-3-11-16/h2-3,5-8,10-11,15H,4,9,12H2,1H3
InChIKeyQNTQPZHKDBMYOB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.17
Rot. Bonds6

About 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide

4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (PubChem CID 71053685) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
PubChem CID71053685
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2cccc2)cc1
InChIInChI=1S/C14H18N2O2S/c1-13-5-7-14(8-6-13)19(17,18)15-9-4-12-16-10-2-3-11-16/h2-3,5-8,10-11,15H,4,9,12H2,1H3
InChIKeyQNTQPZHKDBMYOB-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'}

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Related Compounds

4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-methoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721099
4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
CID 60530993
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-(3-pyrrol-1-ylpropylsulfamoyl)benzoic acid
CID 110721138
2-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721152
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide (CID 71053685) is 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCn2cccc2)cc1.
What is the InChIKey of 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
The InChIKey is QNTQPZHKDBMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-13-5-7-14(8-6-13)19(17,18)15-9-4-12-16-10-2-3-11-16/h2-3,5-8,10-11,15H,4,9,12H2,1H3.
What are the key properties of 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide?
4-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 4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 71053685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).