4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide

C14H16N2O3S — CID 162644310

IUPAC4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide
SMILESCCC(=O)c1ccn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C14H16N2O3S/c1-3-14(17)13-8-9-16(10(13)2)11-4-6-12(7-5-11)20(15,18)19/h4-9H,3H2,1-2H3,(H2,15,18,19)
InChIKeyJRGAPMYYCVPMHI-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.03
Rot. Bonds4

About 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide

4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide (PubChem CID 162644310) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide
PubChem CID162644310
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide
SMILESCCC(=O)c1ccn(-c2ccc(S(N)(=O)=O)cc2)c1C
InChIInChI=1S/C14H16N2O3S/c1-3-14(17)13-8-9-16(10(13)2)11-4-6-12(7-5-11)20(15,18)19/h4-9H,3H2,1-2H3,(H2,15,18,19)
InChIKeyJRGAPMYYCVPMHI-UHFFFAOYSA-N
XLogP2.03
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetyl-1-(phenylsulfonyl)pyrrole
CID 706406
3-Acetyl-1-(phenylsulfonyl)pyrrole
CID 555792
4-(2-Formyl-1h-pyrrol-1-yl)benzenesulfonamide
CID 739179
1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one
CID 2737787
N-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2111176
(E)-3-(dimethylamino)-1-[1-(phenylsulfonyl)-1H-pyrrol-3-yl]-2-propen-1-one
CID 1481412
N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2316496
N-[4-(4,5-dioxo-3-phenylindol-1-yl)sulfonylphenyl]acetamide
CID 137655418
Mls000849774
CID 2800095
1-[(4-methylphenyl)sulfonyl]-1,5,6,7-tetrahydro-4H-indol-4-one
CID 1488053
4-Pyridinecarboxamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 1078899
1-[3-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]phenyl]ethanone
CID 4803636

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide (CID 162644310) is 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide is CCC(=O)c1ccn(-c2ccc(S(N)(=O)=O)cc2)c1C.
What is the InChIKey of 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide?
The InChIKey is JRGAPMYYCVPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-14(17)13-8-9-16(10(13)2)11-4-6-12(7-5-11)20(15,18)19/h4-9H,3H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide?
4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-propanoylpyrrol-1-yl)benzenesulfonamide is sourced from PubChem (CID 162644310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).