N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide

C12H12ClNO2S2 — CID 718460

IUPACN-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C12H12ClNO2S2/c1-8-6-12(9(2)17-8)18(15,16)14-11-5-3-4-10(13)7-11/h3-7,14H,1-2H3
InChIKeyMVYKXJXFTFFIJF-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.82
Rot. Bonds3

About N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide

N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 718460) has the molecular formula C12H12ClNO2S2 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID718460
Molecular FormulaC12H12ClNO2S2
Molecular Weight301.82 g/mol
Exact Mass301.00
IUPAC NameN-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C12H12ClNO2S2/c1-8-6-12(9(2)17-8)18(15,16)14-11-5-3-4-10(13)7-11/h3-7,14H,1-2H3
InChIKeyMVYKXJXFTFFIJF-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 718460) is N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)s1.
What is the InChIKey of N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is MVYKXJXFTFFIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S2/c1-8-6-12(9(2)17-8)18(15,16)14-11-5-3-4-10(13)7-11/h3-7,14H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 301.82 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 718460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).