1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine

C15H15ClN2O2S — CID 114456043

IUPAC1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCc2cccc(N)c21
InChIInChI=1S/C15H15ClN2O2S/c1-10-5-6-12(16)9-14(10)21(19,20)18-8-7-11-3-2-4-13(17)15(11)18/h2-6,9H,7-8,17H2,1H3
InChIKeySBIBLLQDSZGMOD-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine

1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine (PubChem CID 114456043) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine
PubChem CID114456043
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCc2cccc(N)c21
InChIInChI=1S/C15H15ClN2O2S/c1-10-5-6-12(16)9-14(10)21(19,20)18-8-7-11-3-2-4-13(17)15(11)18/h2-6,9H,7-8,17H2,1H3
InChIKeySBIBLLQDSZGMOD-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-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456098
1-(3,5-dimethylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456013
1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline
CID 24656900
ethyl 2-[(7-amino-2,3-dihydroindol-1-yl)sulfonyl]acetate
CID 114456036
1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114456040
1-(2-chlorophenyl)sulfonyl-5-methyl-2,3-dihydroindol-6-amine
CID 83209711
1-(cyclopropylmethylsulfonyl)-2,3-dihydroindol-7-amine
CID 114455986
ethyl 3-[(7-amino-2,3-dihydroindol-1-yl)sulfonyl]propanoate
CID 114456039
1-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-7-methyl-2,3-dihydroindole
CID 112846336
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
CID 75432386
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine (CID 114456043) is 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCc2cccc(N)c21.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
The InChIKey is SBIBLLQDSZGMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-5-6-12(16)9-14(10)21(19,20)18-8-7-11-3-2-4-13(17)15(11)18/h2-6,9H,7-8,17H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine?
1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-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-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).