N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide

C20H22N2O3S — CID 154073636

IUPACN-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3c(C)ccn3C)ccc2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-14-5-6-16(20-15(2)11-12-22(20)3)13-19(14)21-26(23,24)18-9-7-17(25-4)8-10-18/h5-13,21H,1-4H3
InChIKeyWERRNXXTVLQKMY-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.12
Rot. Bonds5

About N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide

N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide (PubChem CID 154073636) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide
PubChem CID154073636
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3c(C)ccn3C)ccc2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-14-5-6-16(20-15(2)11-12-22(20)3)13-19(14)21-26(23,24)18-9-7-17(25-4)8-10-18/h5-13,21H,1-4H3
InChIKeyWERRNXXTVLQKMY-UHFFFAOYSA-N
XLogP4.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
CID 3691156
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
ethyl 3-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrrole-2-carboxylate
CID 127267091
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572
N-[4-hydroxy-5-(4-methoxyphenyl)sulfonyl-2-methylphenyl]benzenesulfonamide
CID 3950293

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide (CID 154073636) is N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3c(C)ccn3C)ccc2C)cc1.
What is the InChIKey of N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide?
The InChIKey is WERRNXXTVLQKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-5-6-16(20-15(2)11-12-22(20)3)13-19(14)21-26(23,24)18-9-7-17(25-4)8-10-18/h5-13,21H,1-4H3.
What are the key properties of N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide?
N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 154073636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).