(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride

C10H9ClFNO2S — CID 117409064

IUPAC(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride
SMILESCc1c[nH]c2c(F)cc(CS(=O)(=O)Cl)cc12
InChIInChI=1S/C10H9ClFNO2S/c1-6-4-13-10-8(6)2-7(3-9(10)12)5-16(11,14)15/h2-4,13H,5H2,1H3
InChIKeyKMLAWOSGCPKNNM-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.68
Rot. Bonds2

About (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride

(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride (PubChem CID 117409064) has the molecular formula C10H9ClFNO2S and a molecular weight of 261.70 g/mol. Its IUPAC name is (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride
PubChem CID117409064
Molecular FormulaC10H9ClFNO2S
Molecular Weight261.70 g/mol
Exact Mass261.00
IUPAC Name(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride
SMILESCc1c[nH]c2c(F)cc(CS(=O)(=O)Cl)cc12
InChIInChI=1S/C10H9ClFNO2S/c1-6-4-13-10-8(6)2-7(3-9(10)12)5-16(11,14)15/h2-4,13H,5H2,1H3
InChIKeyKMLAWOSGCPKNNM-UHFFFAOYSA-N
XLogP2.68
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4,5-dimethylphenyl)methanesulfonyl chloride
CID 84798329
1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
CID 117311124
3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
CID 117375903
5-chloro-7-fluoro-3-methyl-1H-indole;ethane
CID 145012762
5-bromo-7-fluoro-3-methyl-1H-indole
CID 130050132
7-fluoro-3-methyl-1H-indole-5-carbaldehyde
CID 115004206
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine
CID 96617269
(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84805414
ethyl 2-(7-fluoro-3-methyl-1H-indol-5-yl)-2-oxoacetate
CID 117375415
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
7-fluoro-3-methyl-1H-indole
CID 55287812

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride?
The IUPAC name of (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride (CID 117409064) is (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride is Cc1c[nH]c2c(F)cc(CS(=O)(=O)Cl)cc12.
What is the InChIKey of (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride?
The InChIKey is KMLAWOSGCPKNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2S/c1-6-4-13-10-8(6)2-7(3-9(10)12)5-16(11,14)15/h2-4,13H,5H2,1H3.
What are the key properties of (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride?
(7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride has a molecular weight of 261.70 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-1H-indol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 117409064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).