1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine

C15H15ClN2O2S — CID 83209711

IUPAC1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C15H15ClN2O2S/c1-10-8-11-6-7-18(14(11)9-13(10)17)21(19,20)15-5-3-2-4-12(15)16/h2-5,8-9H,6-7,17H2,1H3
InChIKeyOTISXNFTTBEQMM-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.98
Rot. Bonds2

About 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine

1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83209711) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83209711
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C15H15ClN2O2S/c1-10-8-11-6-7-18(14(11)9-13(10)17)21(19,20)15-5-3-2-4-12(15)16/h2-5,8-9H,6-7,17H2,1H3
InChIKeyOTISXNFTTBEQMM-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28970986
1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
5-methyl-1-(methylsulfonylmethylsulfonyl)-2,3-dihydroindol-6-amine
CID 83212278
1-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]ethanone
CID 110737439
1-(2-chloro-4-methylphenyl)sulfonyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
CID 32680566
1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456043
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221
1-(2-chloro-4-methylphenyl)sulfonyl-4-(2-chlorophenyl)sulfonylpiperazine
CID 32676595
2-bromo-5-(2,3-dihydroindol-1-ylsulfonyl)-4-fluoroaniline
CID 116529391
1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
CID 50876146

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine (CID 83209711) is 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(S(=O)(=O)c1ccccc1Cl)CC2.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is OTISXNFTTBEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-8-11-6-7-18(14(11)9-13(10)17)21(19,20)15-5-3-2-4-12(15)16/h2-5,8-9H,6-7,17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine?
1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 322.82 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83209711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).