3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole

C15H11ClFNO2S — CID 141369840

IUPAC3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole
SMILESCc1[nH]c2ccc(F)cc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClFNO2S/c1-9-15(13-8-11(17)5-6-14(13)18-9)21(19,20)12-4-2-3-10(16)7-12/h2-8,18H,1H3
InChIKeyXQKBIBUWQXOHTN-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.10
Rot. Bonds2

About 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole

3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole (PubChem CID 141369840) has the molecular formula C15H11ClFNO2S and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole
PubChem CID141369840
Molecular FormulaC15H11ClFNO2S
Molecular Weight323.78 g/mol
Exact Mass323.02
IUPAC Name3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole
SMILESCc1[nH]c2ccc(F)cc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClFNO2S/c1-9-15(13-8-11(17)5-6-14(13)18-9)21(19,20)12-4-2-3-10(16)7-12/h2-8,18H,1H3
InChIKeyXQKBIBUWQXOHTN-UHFFFAOYSA-N
XLogP4.10
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfonyl]aniline
CID 57164165
5-fluoro-2-methyl-1H-indole-3-sulfonyl chloride
CID 82383636
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
CID 70947557
3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
CID 68657749
8-fluoro-3-methyl-4-(3-methylsulfonylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
CID 118156102
4-chloro-7-(3-fluorophenyl)sulfonyl-2-methyl-5H-pyrrolo[3,2-d]pyrimidin-6-amine;4,6-dichloro-2-methylpyrimidin-5-amine
CID 157276238
3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 139078337
5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 22401464
5-fluoro-3-[[3-(4-fluorophenyl)sulfonyl-2-pyridinyl]methyl]-2-methyl-1H-indole
CID 141244627
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
CID 67018468

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole (CID 141369840) is 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole is Cc1[nH]c2ccc(F)cc2c1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole?
The InChIKey is XQKBIBUWQXOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2S/c1-9-15(13-8-11(17)5-6-14(13)18-9)21(19,20)12-4-2-3-10(16)7-12/h2-8,18H,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole?
3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole has a molecular weight of 323.78 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-5-fluoro-2-methyl-1H-indole is sourced from PubChem (CID 141369840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).