N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide

C16H16N2O2S — CID 169029481

IUPACN-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESCc1cccc2c(CNS(=O)(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C16H16N2O2S/c1-12-6-5-9-15-13(10-17-16(12)15)11-18-21(19,20)14-7-3-2-4-8-14/h2-10,17-18H,11H2,1H3
InChIKeyKBPSMCPDNWYNLQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.95
Rot. Bonds4

About N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide

N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide (PubChem CID 169029481) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
PubChem CID169029481
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide
SMILESCc1cccc2c(CNS(=O)(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C16H16N2O2S/c1-12-6-5-9-15-13(10-17-16(12)15)11-18-21(19,20)14-7-3-2-4-8-14/h2-10,17-18H,11H2,1H3
InChIKeyKBPSMCPDNWYNLQ-UHFFFAOYSA-N
XLogP2.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]benzenesulfonamide
CID 110416248
N-[(2,5-dimethylphenyl)methyl]benzenesulfonamide;hydrochloride
CID 142645086
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
3-methyl-2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119211734
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
3-(ethoxymethyl)-7-methyl-1H-indole
CID 117186252
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide (CID 169029481) is N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide is Cc1cccc2c(CNS(=O)(=O)c3ccccc3)c[nH]c12.
What is the InChIKey of N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
The InChIKey is KBPSMCPDNWYNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-12-6-5-9-15-13(10-17-16(12)15)11-18-21(19,20)14-7-3-2-4-8-14/h2-10,17-18H,11H2,1H3.
What are the key properties of N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide?
N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1H-indol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 169029481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).