5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide

C10H10ClNO2S2 — CID 23548743

IUPAC5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc2ccc(Cl)cc2c1C
InChIInChI=1S/C10H10ClNO2S2/c1-6-8-5-7(11)3-4-9(8)15-10(6)16(13,14)12-2/h3-5,12H,1-2H3
InChIKeyCFYZXGYDEFTCFJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide

5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide (PubChem CID 23548743) has the molecular formula C10H10ClNO2S2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
PubChem CID23548743
Molecular FormulaC10H10ClNO2S2
Molecular Weight275.78 g/mol
Exact Mass274.98
IUPAC Name5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sc2ccc(Cl)cc2c1C
InChIInChI=1S/C10H10ClNO2S2/c1-6-8-5-7(11)3-4-9(8)15-10(6)16(13,14)12-2/h3-5,12H,1-2H3
InChIKeyCFYZXGYDEFTCFJ-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
CID 2824261
5-chloro-2-(chloromethylsulfonyl)-3-methyl-1-benzothiophene
CID 11266391
5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943357
5-chloro-3-methyl-N-(3-methylbut-3-enyl)-1-benzothiophene-2-sulfonamide
CID 89104378
methyl 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzoate
CID 56941887
6-acetyl-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methylbenzenesulfonic acid
CID 141048962
5-chloro-N-[4-chloro-2-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethylamino]-5-methylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 123189508
N-(4-benzoyl-2-methylsulfonylphenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
CID 12045138
N-[2-(benzenesulfonyl)-4-chlorophenyl]-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 118074437
methyl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonylbenzoate
CID 12045134
5-chloro-3-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]-1-benzothiophene-2-sulfonamide
CID 88940037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide (CID 23548743) is 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide is CNS(=O)(=O)c1sc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
The InChIKey is CFYZXGYDEFTCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S2/c1-6-8-5-7(11)3-4-9(8)15-10(6)16(13,14)12-2/h3-5,12H,1-2H3.
What are the key properties of 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide?
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide has a molecular weight of 275.78 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 23548743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).