N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide

C20H19N3O2S — CID 67284172

IUPACN-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide
SMILESCCn1ccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)c1
InChIInChI=1S/C20H19N3O2S/c1-3-23-11-10-19(14-23)26(24,25)22-20-12-18(7-4-15(20)2)17-8-5-16(13-21)6-9-17/h4-12,14,22H,3H2,1-2H3
InChIKeyZTYWCWZBFJJVFO-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.16
Rot. Bonds5

About N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide

N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide (PubChem CID 67284172) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide
PubChem CID67284172
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide
SMILESCCn1ccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)c1
InChIInChI=1S/C20H19N3O2S/c1-3-23-11-10-19(14-23)26(24,25)22-20-12-18(7-4-15(20)2)17-8-5-16(13-21)6-9-17/h4-12,14,22H,3H2,1-2H3
InChIKeyZTYWCWZBFJJVFO-UHFFFAOYSA-N
XLogP4.16
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide
CID 67282710
4-cyano-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)benzenesulfonamide
CID 122283678
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
3-amino-4-bromo-N-(5-cyano-2-methylphenyl)benzenesulfonamide
CID 115329217
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
N-[5-(5-cyanothiophen-3-yl)-2-methylphenyl]-4-hydroxybenzenesulfonamide
CID 67283512
N-(2-chloro-4-cyanophenyl)-1-ethylimidazole-4-sulfonamide
CID 103791860
N-(5-cyano-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842924
3-[(1-ethylpyrrol-3-yl)methylamino]-4-methylbenzenesulfonamide
CID 66414175

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide?
The IUPAC name of N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide (CID 67284172) is N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide?
The canonical SMILES for N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide is CCn1ccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)c1.
What is the InChIKey of N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide?
The InChIKey is ZTYWCWZBFJJVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-23-11-10-19(14-23)26(24,25)22-20-12-18(7-4-15(20)2)17-8-5-16(13-21)6-9-17/h4-12,14,22H,3H2,1-2H3.
What are the key properties of N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide?
N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanophenyl)-2-methylphenyl]-1-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 67284172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).