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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Related Compounds

N-phenyl-N-(2-phenylethyl)methanesulfonamide
CID 60602422
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 67218094
3-[methylsulfonyl(naphthalen-1-yl)amino]propanoic acid
CID 50895842
2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132738413
N-butan-2-yl-2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]butanamide
CID 132738433
(2S)-2-[4-(3-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100608172
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 100631542
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113067541
4-(2-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890507
3-chloro-1-N-methyl-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 113458658
(2R)-2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100511855

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).