5-chloro-3-methyl-1-benzothiophene-2-sulfonamide

C9H8ClNO2S2 — CID 2757668

IUPAC5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)sc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13)
InChIKeyCGMQMZKLIJYAKX-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.51
Rot. Bonds1

About 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide

5-chloro-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 2757668) has the molecular formula C9H8ClNO2S2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
PubChem CID2757668
Molecular FormulaC9H8ClNO2S2
Molecular Weight261.75 g/mol
Exact Mass260.97
IUPAC Name5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(N)(=O)=O)sc2ccc(Cl)cc12
InChIInChI=1S/C9H8ClNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13)
InChIKeyCGMQMZKLIJYAKX-UHFFFAOYSA-N
XLogP2.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide (CID 2757668) is 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide is Cc1c(S(N)(=O)=O)sc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is CGMQMZKLIJYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide?
5-chloro-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 261.75 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 2757668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).