5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole

C11H14ClNO2S — CID 82484283

IUPAC5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole
SMILESCC1(C)CN(S(C)(=O)=O)c2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO2S/c1-11(2)7-13(16(3,14)15)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3
InChIKeyIVWQJXCEIMXKPG-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.40
Rot. Bonds1

About 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole

5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole (PubChem CID 82484283) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole.

Molecular Properties

Compound Name5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole
PubChem CID82484283
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole
SMILESCC1(C)CN(S(C)(=O)=O)c2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO2S/c1-11(2)7-13(16(3,14)15)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3
InChIKeyIVWQJXCEIMXKPG-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole
CID 82490339
(2S)-4-(5-chloro-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 18392729
2-[4-[[5-(2,4-dichlorophenyl)-3,3-dimethyl-2H-indol-1-yl]sulfonyl]-2-methylphenoxy]acetic acid
CID 58639189
6-chloro-4-methylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 91662295
1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
CID 1486799
5-chloro-1-methylspiro[2H-indole-3,1'-cyclopropane]
CID 133063265
1'-(6-chloro-1H-benzimidazol-2-yl)-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]
CID 10070563
5-chloro-2-(5-chloro-1'-methylsulfonylspiro[2H-indole-3,3'-pyrrolidine]-1-yl)-1,3-thiazole
CID 151895294
(2S)-6-chloro-2-methyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine
CID 95991012
1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995
5-chloro-2-(3,3-dimethylpyrrolidin-1-yl)benzaldehyde
CID 114844443
2,2,6-trimethyl-4-methylsulfonyl-3H-1,4-benzoxazine
CID 70837538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole?
The IUPAC name of 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole (CID 82484283) is 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole.
What is the SMILES notation for 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole?
The canonical SMILES for 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole is CC1(C)CN(S(C)(=O)=O)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole?
The InChIKey is IVWQJXCEIMXKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-11(2)7-13(16(3,14)15)10-5-4-8(12)6-9(10)11/h4-6H,7H2,1-3H3.
What are the key properties of 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole?
5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole has a molecular weight of 259.76 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-dimethyl-1-methylsulfonyl-2H-indole is sourced from PubChem (CID 82484283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).