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

C14H13ClN2O2S — CID 28970986

IUPAC1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C14H13ClN2O2S/c15-12-3-1-2-4-14(12)20(18,19)17-8-7-10-5-6-11(16)9-13(10)17/h1-6,9H,7-8,16H2
InChIKeyVMTFLSCOLISWDC-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.67
Rot. Bonds2

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

1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine (PubChem CID 28970986) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
PubChem CID28970986
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C14H13ClN2O2S/c15-12-3-1-2-4-14(12)20(18,19)17-8-7-10-5-6-11(16)9-13(10)17/h1-6,9H,7-8,16H2
InChIKeyVMTFLSCOLISWDC-UHFFFAOYSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.67
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-5-methyl-2,3-dihydroindol-6-amine
CID 83209711
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-amine
CID 28707117
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 80578213
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 103099496
1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-amine
CID 62266376
1-(2-phenylethylsulfonyl)-2,3-dihydroindol-6-amine
CID 28707123
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
CID 50876146
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3-dihydroindol-6-amine
CID 106465446
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine (CID 28970986) is 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1Cl)CC2.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine?
The InChIKey is VMTFLSCOLISWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-12-3-1-2-4-14(12)20(18,19)17-8-7-10-5-6-11(16)9-13(10)17/h1-6,9H,7-8,16H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine?
1-(2-chlorophenyl)sulfonyl-2,3-dihydroindol-6-amine has a molecular weight of 308.79 g/mol, XLogP of 2.67, 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-2,3-dihydroindol-6-amine is sourced from PubChem (CID 28970986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).