5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride

C9H7ClFNO2S — CID 82383636

IUPAC5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride
SMILESCc1[nH]c2ccc(F)cc2c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClFNO2S/c1-5-9(15(10,13)14)7-4-6(11)2-3-8(7)12-5/h2-4,12H,1H3
InChIKeySWPPZJWZFYOVQG-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.54
Rot. Bonds1

About 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride

5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride (PubChem CID 82383636) has the molecular formula C9H7ClFNO2S and a molecular weight of 247.68 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride
PubChem CID82383636
Molecular FormulaC9H7ClFNO2S
Molecular Weight247.68 g/mol
Exact Mass246.99
IUPAC Name5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride
SMILESCc1[nH]c2ccc(F)cc2c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClFNO2S/c1-5-9(15(10,13)14)7-4-6(11)2-3-8(7)12-5/h2-4,12H,1H3
InChIKeySWPPZJWZFYOVQG-UHFFFAOYSA-N
XLogP2.54
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole
CID 141369840
2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline
CID 57164165
N-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 45258699
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82241864
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82242761
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
5-fluoro-2-methyl-3-(2-methylimidazolidin-2-yl)-1H-indole
CID 56975227
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride?
The IUPAC name of 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride (CID 82383636) is 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride?
The canonical SMILES for 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride is Cc1[nH]c2ccc(F)cc2c1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride?
The InChIKey is SWPPZJWZFYOVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2S/c1-5-9(15(10,13)14)7-4-6(11)2-3-8(7)12-5/h2-4,12H,1H3.
What are the key properties of 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride?
5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride has a molecular weight of 247.68 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride is sourced from PubChem (CID 82383636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).