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

C9H8ClNO2S2 — CID 150846661

IUPAC5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccc(Cl)cc2c1S(N)(=O)=O
InChIInChI=1S/C9H8ClNO2S2/c1-5-9(15(11,12)13)7-4-6(10)2-3-8(7)14-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyKPDMSYOTCBAQLK-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.51
Rot. Bonds1

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

5-chloro-2-methyl-1-benzothiophene-3-sulfonamide (PubChem CID 150846661) has the molecular formula C9H8ClNO2S2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
PubChem CID150846661
Molecular FormulaC9H8ClNO2S2
Molecular Weight261.75 g/mol
Exact Mass260.97
IUPAC Name5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
SMILESCc1sc2ccc(Cl)cc2c1S(N)(=O)=O
InChIInChI=1S/C9H8ClNO2S2/c1-5-9(15(11,12)13)7-4-6(10)2-3-8(7)14-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyKPDMSYOTCBAQLK-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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Related Compounds

3,5-dichloro-2-methyl-1-benzothiophene
CID 59511137
N-(2-amino-1-cyclopropylethyl)-5-chloro-2-methyl-1-benzothiophene-3-sulfonamide
CID 119986735
6-chloro-2,3-dimethylthiochromen-4-one
CID 86172878
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
CID 120586000
5-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1-benzothiophene-3-sulfonamide
CID 120721657
3-(5-chloro-2-methyl-1-benzothiophen-3-yl)propan-1-amine
CID 83912557
1-[[(5-chloro-2-methyl-1-benzothiophen-3-yl)sulfonylamino]methyl]cyclopent-3-ene-1-carboxylic acid
CID 166377783
5-chloro-2-methyl-3-(4-methylphenyl)-1-benzothiophene
CID 4672420
5-chloro-3-methyl-2-benzothiophene-1-sulfonyl chloride
CID 87496053
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
The IUPAC name of 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide (CID 150846661) is 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
The canonical SMILES for 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide is Cc1sc2ccc(Cl)cc2c1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
The InChIKey is KPDMSYOTCBAQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S2/c1-5-9(15(11,12)13)7-4-6(10)2-3-8(7)14-5/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-2-methyl-1-benzothiophene-3-sulfonamide?
5-chloro-2-methyl-1-benzothiophene-3-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-2-methyl-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 150846661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).