N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide

C14H13ClN2O2S2 — CID 106268141

IUPACN-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H13ClN2O2S2/c1-10(12-5-3-4-6-13(12)15)17(2)21(18,19)14-8-7-11(9-16)20-14/h3-8,10H,1-2H3
InChIKeyTUDQMINCQLIHIV-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.65
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide

N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide (PubChem CID 106268141) has the molecular formula C14H13ClN2O2S2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
PubChem CID106268141
Molecular FormulaC14H13ClN2O2S2
Molecular Weight340.86 g/mol
Exact Mass340.01
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide
SMILESCC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C14H13ClN2O2S2/c1-10(12-5-3-4-6-13(12)15)17(2)21(18,19)14-8-7-11(9-16)20-14/h3-8,10H,1-2H3
InChIKeyTUDQMINCQLIHIV-UHFFFAOYSA-N
XLogP3.65
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 62980507
5-cyano-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 106267712
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide (CID 106268141) is N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide is CC(c1ccccc1Cl)N(C)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide?
The InChIKey is TUDQMINCQLIHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S2/c1-10(12-5-3-4-6-13(12)15)17(2)21(18,19)14-8-7-11(9-16)20-14/h3-8,10H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide?
N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide has a molecular weight of 340.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-cyano-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106268141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).