1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine

C17H16N2O2S — CID 71458811

IUPAC1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine
SMILESNC1Cc2cccc3c2c(cn3S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H16N2O2S/c18-14-9-12-5-4-8-16-17(12)13(10-14)11-19(16)22(20,21)15-6-2-1-3-7-15/h1-8,11,14H,9-10,18H2
InChIKeyLMESWUCYEXZYAH-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.30
Rot. Bonds2

About 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine

1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine (PubChem CID 71458811) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine
PubChem CID71458811
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine
SMILESNC1Cc2cccc3c2c(cn3S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H16N2O2S/c18-14-9-12-5-4-8-16-17(12)13(10-14)11-19(16)22(20,21)15-6-2-1-3-7-15/h1-8,11,14H,9-10,18H2
InChIKeyLMESWUCYEXZYAH-UHFFFAOYSA-N
XLogP2.30
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-11-methyl-3,11-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 25072813
3-(benzenesulfonyl)-9-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-11-one;ethene
CID 22567442
3-(benzenesulfonyl)-11-(cyclopropylamino)-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 22567444
1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol
CID 21258568
2-(benzenesulfonyl)-6-(pyrrolidin-3-ylmethyl)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;2,2,2-trifluoroacetic acid
CID 66786673
2-[2-(benzenesulfonyl)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 87150629
N-(4-aminocyclohexyl)-1-(benzenesulfonyl)-4-(trifluoromethyl)indole-3-sulfonamide
CID 24947737
1-(benzenesulfonyl)indol-3-amine
CID 142808384
1-(benzenesulfonyl)-4-iodoindole-3-carbaldehyde
CID 170556036
4-(3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-ylsulfonyl)benzonitrile
CID 25069643
3-(3-chlorophenyl)sulfonyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 25073427
1-(benzenesulfonyl)-4-ethylindole-3-sulfonic acid
CID 87727667

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine?
The IUPAC name of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine (CID 71458811) is 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine?
The canonical SMILES for 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine is NC1Cc2cccc3c2c(cn3S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine?
The InChIKey is LMESWUCYEXZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c18-14-9-12-5-4-8-16-17(12)13(10-14)11-19(16)22(20,21)15-6-2-1-3-7-15/h1-8,11,14H,9-10,18H2.
What are the key properties of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine?
1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine has a molecular weight of 312.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine is sourced from PubChem (CID 71458811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).