4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide

C15H20N2O2S — CID 161388261

IUPAC4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC2=CCC=N2)cc1
InChIInChI=1S/C15H20N2O2S/c1-12(2)13-5-7-15(8-6-13)20(18,19)17-11-9-14-4-3-10-16-14/h4-8,10,12,17H,3,9,11H2,1-2H3
InChIKeyUDTILHPMEWFZMM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.84
Rot. Bonds6

About 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide

4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide (PubChem CID 161388261) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide
PubChem CID161388261
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC2=CCC=N2)cc1
InChIInChI=1S/C15H20N2O2S/c1-12(2)13-5-7-15(8-6-13)20(18,19)17-11-9-14-4-3-10-16-14/h4-8,10,12,17H,3,9,11H2,1-2H3
InChIKeyUDTILHPMEWFZMM-UHFFFAOYSA-N
XLogP2.84
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320880
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 59135295
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 22207416
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 22578603
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 78809854
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide (CID 161388261) is 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCC2=CCC=N2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is UDTILHPMEWFZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12(2)13-5-7-15(8-6-13)20(18,19)17-11-9-14-4-3-10-16-14/h4-8,10,12,17H,3,9,11H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide?
4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[2-(3H-pyrrol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 161388261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).