1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide

C18H18N2O2S — CID 110726362

IUPAC1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H18N2O2S/c1-15-6-2-3-7-16(15)14-23(21,22)19-17-8-10-18(11-9-17)20-12-4-5-13-20/h2-13,19H,14H2,1H3
InChIKeyKIWZSLHJRQQSQE-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.73
Rot. Bonds5

About 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide

1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide (PubChem CID 110726362) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
PubChem CID110726362
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H18N2O2S/c1-15-6-2-3-7-16(15)14-23(21,22)19-17-8-10-18(11-9-17)20-12-4-5-13-20/h2-13,19H,14H2,1H3
InChIKeyKIWZSLHJRQQSQE-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
CID 112502667
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
CID 110362407
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
N-[3,5-dimethyl-4-(nitromethylsulfonyl)phenyl]-1-(2-methylphenyl)methanesulfonamide
CID 18676511
ethyl 2-chloro-5-[(2-methylphenyl)methylsulfonylamino]benzoate
CID 46770519
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110405989
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
N-methyl-2-[(2-methylphenyl)methylsulfonylamino]benzenesulfonamide
CID 167899104
N-[4-(3-methylpyrazol-1-yl)phenyl]-1-phenylmethanesulfonamide
CID 35521142
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110716508

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide (CID 110726362) is 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide?
The InChIKey is KIWZSLHJRQQSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-15-6-2-3-7-16(15)14-23(21,22)19-17-8-10-18(11-9-17)20-12-4-5-13-20/h2-13,19H,14H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide?
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 110726362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).