N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide

C17H17ClN2O2S — CID 141063953

IUPACN-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)c1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C17H17ClN2O2S/c1-23(21,22)20(11-10-13-6-3-2-4-7-13)16-9-5-8-14-15(18)12-19-17(14)16/h2-9,12,19H,10-11H2,1H3
InChIKeyNPXQVVABTMVKPG-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.83
Rot. Bonds5

About N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide

N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide (PubChem CID 141063953) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide
PubChem CID141063953
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC NameN-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)c1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C17H17ClN2O2S/c1-23(21,22)20(11-10-13-6-3-2-4-7-13)16-9-5-8-14-15(18)12-19-17(14)16/h2-9,12,19H,10-11H2,1H3
InChIKeyNPXQVVABTMVKPG-UHFFFAOYSA-N
XLogP3.83
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide (CID 141063953) is N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide is CS(=O)(=O)N(CCc1ccccc1)c1cccc2c(Cl)c[nH]c12.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is NPXQVVABTMVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-23(21,22)20(11-10-13-6-3-2-4-7-13)16-9-5-8-14-15(18)12-19-17(14)16/h2-9,12,19H,10-11H2,1H3.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide?
N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 348.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 141063953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).