2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide

C14H15N3O2S — CID 91298814

IUPAC2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide
SMILESCn1c(C#N)ccc1-c1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-17-13(10-15)6-7-14(17)12-4-2-11(3-5-12)8-9-20(16,18)19/h2-7H,8-9H2,1H3,(H2,16,18,19)
InChIKeySFMHCIBYBKRUQI-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.39
Rot. Bonds4

About 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide

2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide (PubChem CID 91298814) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide
PubChem CID91298814
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide
SMILESCn1c(C#N)ccc1-c1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-17-13(10-15)6-7-14(17)12-4-2-11(3-5-12)8-9-20(16,18)19/h2-7H,8-9H2,1H3,(H2,16,18,19)
InChIKeySFMHCIBYBKRUQI-UHFFFAOYSA-N
XLogP1.39
TPSA88.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-cyano-1-methylpyrrol-2-yl)-2,5-difluorophenyl]ethanesulfonamide
CID 90902441
4-[4-(5-cyano-1-methylpyrrol-2-yl)-3,5-difluorophenyl]butane-1-sulfonamide
CID 91437193
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]propane-2-sulfonamide
CID 15604499
N-tert-butyl-4-(5-cyano-1-methylpyrrol-2-yl)benzenesulfonamide
CID 25005983
4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide
CID 24896574
5-(4-amino-3-cyanophenyl)-1-methylpyrrole-2-carbonitrile
CID 69114652
5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile
CID 15604500
5-[4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-1-methylpyrrole-2-carbonitrile
CID 155812405
5-[4-(C-tert-butyl-N-hydroxycarbonimidoyl)phenyl]-1-methylpyrrole-2-carbonitrile
CID 75254568
5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile
CID 25003909
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]-N-cyclohexylformamide
CID 141162334
N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
CID 155809311

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide (CID 91298814) is 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide is Cn1c(C#N)ccc1-c1ccc(CCS(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide?
The InChIKey is SFMHCIBYBKRUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-17-13(10-15)6-7-14(17)12-4-2-11(3-5-12)8-9-20(16,18)19/h2-7H,8-9H2,1H3,(H2,16,18,19).
What are the key properties of 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide?
2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 91298814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).