N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide

C18H14N2O2S2 — CID 67299025

IUPACN-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2csc(-c3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-13-2-8-17(9-3-13)24(21,22)20-16-10-18(23-12-16)15-6-4-14(11-19)5-7-15/h2-10,12,20H,1H3
InChIKeyCIYHAKCCXUILAN-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.40
Rot. Bonds4

About N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide

N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide (PubChem CID 67299025) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
PubChem CID67299025
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC NameN-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2csc(-c3ccc(C#N)cc3)c2)cc1
InChIInChI=1S/C18H14N2O2S2/c1-13-2-8-17(9-3-13)24(21,22)20-16-10-18(23-12-16)15-6-4-14(11-19)5-7-15/h2-10,12,20H,1H3
InChIKeyCIYHAKCCXUILAN-UHFFFAOYSA-N
XLogP4.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3870164
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
4-chloro-N-[3-(5-cyanothiophen-2-yl)-5-methylphenyl]benzenesulfonamide
CID 67283464

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide (CID 67299025) is N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2csc(-c3ccc(C#N)cc3)c2)cc1.
What is the InChIKey of N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is CIYHAKCCXUILAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-13-2-8-17(9-3-13)24(21,22)20-16-10-18(23-12-16)15-6-4-14(11-19)5-7-15/h2-10,12,20H,1H3.
What are the key properties of N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide?
N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 354.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 67299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).