1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide

C21H22N2O3S — CID 67610935

IUPAC1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
SMILESCc1ccc(C(=O)c2ccc(CC(C)(c3ccccc3)S(N)(=O)=O)[nH]2)cc1
InChIInChI=1S/C21H22N2O3S/c1-15-8-10-16(11-9-15)20(24)19-13-12-18(23-19)14-21(2,27(22,25)26)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H2,22,25,26)
InChIKeyGASDNHFOHYCVDL-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.30
Rot. Bonds6

About 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide

1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide (PubChem CID 67610935) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
PubChem CID67610935
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide
SMILESCc1ccc(C(=O)c2ccc(CC(C)(c3ccccc3)S(N)(=O)=O)[nH]2)cc1
InChIInChI=1S/C21H22N2O3S/c1-15-8-10-16(11-9-15)20(24)19-13-12-18(23-19)14-21(2,27(22,25)26)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H2,22,25,26)
InChIKeyGASDNHFOHYCVDL-UHFFFAOYSA-N
XLogP3.30
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
The IUPAC name of 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide (CID 67610935) is 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide.
What is the SMILES notation for 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
The canonical SMILES for 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide is Cc1ccc(C(=O)c2ccc(CC(C)(c3ccccc3)S(N)(=O)=O)[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
The InChIKey is GASDNHFOHYCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-8-10-16(11-9-15)20(24)19-13-12-18(23-19)14-21(2,27(22,25)26)17-6-4-3-5-7-17/h3-13,23H,14H2,1-2H3,(H2,22,25,26).
What are the key properties of 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide?
1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide has a molecular weight of 382.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylbenzoyl)-1H-pyrrol-2-yl]-2-phenylpropane-2-sulfonamide is sourced from PubChem (CID 67610935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).