1-(benzenesulfonyl)-N,N-dimethylindol-5-amine

C16H16N2O2S — CID 162661549

IUPAC1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
SMILESCN(C)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-17(2)14-8-9-16-13(12-14)10-11-18(16)21(19,20)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyLDFGXPKEEJPITD-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.94
Rot. Bonds3

About 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine

1-(benzenesulfonyl)-N,N-dimethylindol-5-amine (PubChem CID 162661549) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
PubChem CID162661549
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name1-(benzenesulfonyl)-N,N-dimethylindol-5-amine
SMILESCN(C)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H16N2O2S/c1-17(2)14-8-9-16-13(12-14)10-11-18(16)21(19,20)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyLDFGXPKEEJPITD-UHFFFAOYSA-N
XLogP2.94
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-5-(4-fluorophenyl)indole
CID 164547009
1-(benzenesulfonyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylindole
CID 124563441
N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-5-carboxamide
CID 175152929
1-[[1-(benzenesulfonyl)indol-5-yl]methyl]-2-phenylhydrazine
CID 169387035
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
5-iodo-1-(4-methylphenyl)sulfonylindole
CID 10872988
1-(benzenesulfonyl)indole-6-carbaldehyde
CID 10731848
1-(benzenesulfonyl)-N-benzyl-N-piperidin-4-ylindol-5-amine;2,2,2-trifluoroacetic acid
CID 66650338
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
CID 177408616
[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane
CID 59831708
3-(5-methoxyindol-1-yl)sulfonylaniline
CID 71494345
methyl 1-(benzenesulfonyl)indole-6-carboxylate
CID 54598082

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine?
The IUPAC name of 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine (CID 162661549) is 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine is CN(C)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine?
The InChIKey is LDFGXPKEEJPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-17(2)14-8-9-16-13(12-14)10-11-18(16)21(19,20)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine?
1-(benzenesulfonyl)-N,N-dimethylindol-5-amine has a molecular weight of 300.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N,N-dimethylindol-5-amine is sourced from PubChem (CID 162661549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).