N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide

C12H10N2O2S2 — CID 3345212

IUPACN-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccsc2C#N)cc1
InChIInChI=1S/C12H10N2O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-11-6-7-17-12(11)8-13/h2-7,14H,1H3
InChIKeyCAKCPNQTYKVPFD-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.73
Rot. Bonds3

About N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide

N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide (PubChem CID 3345212) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide
PubChem CID3345212
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC NameN-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccsc2C#N)cc1
InChIInChI=1S/C12H10N2O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-11-6-7-17-12(11)8-13/h2-7,14H,1H3
InChIKeyCAKCPNQTYKVPFD-UHFFFAOYSA-N
XLogP2.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide (CID 3345212) is N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccsc2C#N)cc1.
What is the InChIKey of N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is CAKCPNQTYKVPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c1-9-2-4-10(5-3-9)18(15,16)14-11-6-7-17-12(11)8-13/h2-7,14H,1H3.
What are the key properties of N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide?
N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 278.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanothiophen-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3345212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).