N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide

C12H12ClNO4S3 — CID 75449103

IUPACN-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)s1
InChIInChI=1S/C12H12ClNO4S3/c1-8-6-7-11(19-8)21(17,18)14-10-5-3-4-9(13)12(10)20(2,15)16/h3-7,14H,1-2H3
InChIKeyYJIPRPLOGNJUJX-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.91
Rot. Bonds4

About N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide

N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide (PubChem CID 75449103) has the molecular formula C12H12ClNO4S3 and a molecular weight of 365.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
PubChem CID75449103
Molecular FormulaC12H12ClNO4S3
Molecular Weight365.89 g/mol
Exact Mass364.96
IUPAC NameN-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)s1
InChIInChI=1S/C12H12ClNO4S3/c1-8-6-7-11(19-8)21(17,18)14-10-5-3-4-9(13)12(10)20(2,15)16/h3-7,14H,1-2H3
InChIKeyYJIPRPLOGNJUJX-UHFFFAOYSA-N
XLogP2.91
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-5-methylthiophene-2-sulfonamide
CID 28783373
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
5-methyl-N-(2-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
CID 110727191
N-(6-chloro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18125828
N-(2-chloro-4-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 110777954
N-(3,5-dichlorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191064
N-(2,3-dichlorophenyl)-5-fluorothiophene-2-sulfonamide
CID 91969516
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113041587
N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
CID 86870275
N-(3-chloro-2-methylphenyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106057338
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide (CID 75449103) is N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)s1.
What is the InChIKey of N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is YJIPRPLOGNJUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S3/c1-8-6-7-11(19-8)21(17,18)14-10-5-3-4-9(13)12(10)20(2,15)16/h3-7,14H,1-2H3.
What are the key properties of N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide?
N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 365.89 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 75449103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).