1-(benzenesulfonyl)-2,3-dihydroindol-5-amine

C14H14N2O2S — CID 16642564

IUPAC1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c15-12-6-7-14-11(10-12)8-9-16(14)19(17,18)13-4-2-1-3-5-13/h1-7,10H,8-9,15H2
InChIKeyHGEROBBDRJQFIQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.02
Rot. Bonds2

About 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine

1-(benzenesulfonyl)-2,3-dihydroindol-5-amine (PubChem CID 16642564) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
PubChem CID16642564
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O2S/c15-12-6-7-14-11(10-12)8-9-16(14)19(17,18)13-4-2-1-3-5-13/h1-7,10H,8-9,15H2
InChIKeyHGEROBBDRJQFIQ-UHFFFAOYSA-N
XLogP2.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.02
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-chlorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 28707138
1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-amine
CID 16642565
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
trans-(1R,2S)-2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropan-1-amine
CID 137422519
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]propanal
CID 174519680
1-(benzenesulfonyl)-N-cyclopropyl-N-phenyl-2,3-dihydroindol-5-amine
CID 175252645
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
4-[(5-acetyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 110737435
(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
5-amino-N-methyl-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 54947295

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine (CID 16642564) is 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine?
The InChIKey is HGEROBBDRJQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-12-6-7-14-11(10-12)8-9-16(14)19(17,18)13-4-2-1-3-5-13/h1-7,10H,8-9,15H2.
What are the key properties of 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine?
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine has a molecular weight of 274.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 16642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).