N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide

C12H15ClN2O2S — CID 113086047

IUPACN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CCNS(C)(=O)=O
InChIInChI=1S/C12H15ClN2O2S/c1-8-10(5-6-14-18(2,16)17)11-7-9(13)3-4-12(11)15-8/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyVSYHEGDMTUBJKB-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.22
Rot. Bonds4

About N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide (PubChem CID 113086047) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
PubChem CID113086047
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC NameN-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CCNS(C)(=O)=O
InChIInChI=1S/C12H15ClN2O2S/c1-8-10(5-6-14-18(2,16)17)11-7-9(13)3-4-12(11)15-8/h3-4,7,14-15H,5-6H2,1-2H3
InChIKeyVSYHEGDMTUBJKB-UHFFFAOYSA-N
XLogP2.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]-4-chlorobenzenesulfonamide
CID 122655775
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
5-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113086266
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 124852403
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide (CID 113086047) is N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide is Cc1[nH]c2ccc(Cl)cc2c1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide?
The InChIKey is VSYHEGDMTUBJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-8-10(5-6-14-18(2,16)17)11-7-9(13)3-4-12(11)15-8/h3-4,7,14-15H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide?
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 113086047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).