1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide

C18H16N2O3S — CID 70696422

IUPAC1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(C(N)=O)cc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-7-9-16(10-8-13)24(22,23)20-12-15(18(19)21)11-17(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,21)
InChIKeyVWOITJHVVGZHRW-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide

1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide (PubChem CID 70696422) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide
PubChem CID70696422
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(C(N)=O)cc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-7-9-16(10-8-13)24(22,23)20-12-15(18(19)21)11-17(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,21)
InChIKeyVWOITJHVVGZHRW-UHFFFAOYSA-N
XLogP2.80
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide (CID 70696422) is 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide is Cc1ccc(S(=O)(=O)n2cc(C(N)=O)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is VWOITJHVVGZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-13-7-9-16(10-8-13)24(22,23)20-12-15(18(19)21)11-17(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,19,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide?
1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 70696422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).