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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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).