5-chloro-N,3-diethyl-1H-indole-2-sulfonamide

C12H15ClN2O2S — CID 123539160

IUPAC5-chloro-N,3-diethyl-1H-indole-2-sulfonamide
SMILESCCNS(=O)(=O)c1[nH]c2ccc(Cl)cc2c1CC
InChIInChI=1S/C12H15ClN2O2S/c1-3-9-10-7-8(13)5-6-11(10)15-12(9)18(16,17)14-4-2/h5-7,14-15H,3-4H2,1-2H3
InChIKeyAWRQXFDPHWNPTE-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.68
Rot. Bonds4

About 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide

5-chloro-N,3-diethyl-1H-indole-2-sulfonamide (PubChem CID 123539160) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,3-diethyl-1H-indole-2-sulfonamide
PubChem CID123539160
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name5-chloro-N,3-diethyl-1H-indole-2-sulfonamide
SMILESCCNS(=O)(=O)c1[nH]c2ccc(Cl)cc2c1CC
InChIInChI=1S/C12H15ClN2O2S/c1-3-9-10-7-8(13)5-6-11(10)15-12(9)18(16,17)14-4-2/h5-7,14-15H,3-4H2,1-2H3
InChIKeyAWRQXFDPHWNPTE-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]ethanesulfonamide
CID 113086048
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
CID 118728586
1-(5-chloro-2-ethyl-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 107431860
3-[2-(benzenesulfonyl)-5-chloro-1H-indol-3-yl]-2-methylpropan-1-ol
CID 69347334
methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
CID 70404350
5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 118728584
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
CID 90709499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide?
The IUPAC name of 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide (CID 123539160) is 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide.
What is the SMILES notation for 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide?
The canonical SMILES for 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide is CCNS(=O)(=O)c1[nH]c2ccc(Cl)cc2c1CC.
What is the InChIKey of 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide?
The InChIKey is AWRQXFDPHWNPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-3-9-10-7-8(13)5-6-11(10)15-12(9)18(16,17)14-4-2/h5-7,14-15H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide?
5-chloro-N,3-diethyl-1H-indole-2-sulfonamide has a molecular weight of 286.78 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3-diethyl-1H-indole-2-sulfonamide is sourced from PubChem (CID 123539160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).