1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine

C14H13ClN2O2S — CID 28707138

IUPAC1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-11-1-4-13(5-2-11)20(18,19)17-8-7-10-9-12(16)3-6-14(10)17/h1-6,9H,7-8,16H2
InChIKeyQGGYCMRADMHEOR-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.67
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine

1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine (PubChem CID 28707138) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
PubChem CID28707138
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-11-1-4-13(5-2-11)20(18,19)17-8-7-10-9-12(16)3-6-14(10)17/h1-6,9H,7-8,16H2
InChIKeyQGGYCMRADMHEOR-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-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-2,3-dihydroindole-5-sulfonamide
CID 19164457
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine (CID 28707138) is 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
The InChIKey is QGGYCMRADMHEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-11-1-4-13(5-2-11)20(18,19)17-8-7-10-9-12(16)3-6-14(10)17/h1-6,9H,7-8,16H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine?
1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-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-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine is sourced from PubChem (CID 28707138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).