4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide

C17H16N2O3S — CID 91455313

IUPAC4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2O)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H16N2O3S/c1-12-10-16(15-4-2-3-5-17(15)20)19(11-12)13-6-8-14(9-7-13)23(18,21)22/h2-11,20H,1H3,(H2,18,21,22)
InChIKeyNIUIDPSSIVWVFI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.81
Rot. Bonds3

About 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide

4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide (PubChem CID 91455313) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide
PubChem CID91455313
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2O)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H16N2O3S/c1-12-10-16(15-4-2-3-5-17(15)20)19(11-12)13-6-8-14(9-7-13)23(18,21)22/h2-11,20H,1H3,(H2,18,21,22)
InChIKeyNIUIDPSSIVWVFI-UHFFFAOYSA-N
XLogP2.81
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide (CID 91455313) is 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide is Cc1cc(-c2ccccc2O)n(-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is NIUIDPSSIVWVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-10-16(15-4-2-3-5-17(15)20)19(11-12)13-6-8-14(9-7-13)23(18,21)22/h2-11,20H,1H3,(H2,18,21,22).
What are the key properties of 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide?
4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyphenyl)-4-methylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 91455313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).