1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide

C14H20ClN3O2S — CID 157042553

IUPAC1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc2[nH]c(Cl)c(CCN(C)C)c12
InChIInChI=1S/C14H20ClN3O2S/c1-16-21(19,20)9-10-5-4-6-12-13(10)11(14(15)17-12)7-8-18(2)3/h4-6,16-17H,7-9H2,1-3H3
InChIKeyREQQSHZLRMFGDQ-UHFFFAOYSA-N
MW329.85 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide

1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide (PubChem CID 157042553) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide
PubChem CID157042553
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc2[nH]c(Cl)c(CCN(C)C)c12
InChIInChI=1S/C14H20ClN3O2S/c1-16-21(19,20)9-10-5-4-6-12-13(10)11(14(15)17-12)7-8-18(2)3/h4-6,16-17H,7-9H2,1-3H3
InChIKeyREQQSHZLRMFGDQ-UHFFFAOYSA-N
XLogP1.97
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] hexanoate
CID 162478154
1-[3-[[3-[2-(dimethylamino)ethyl]-5-(methylsulfamoylmethyl)-1H-indol-2-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 169438957
2-[4-(difluoromethylsulfonyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 178014897
3-[2-(dimethylamino)ethyl]-2-(trifluoromethyl)-1H-indole-4-carboxylic acid
CID 166008129
1-benzhydryl-4-methylpiperazine;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 118950113
1-(1H-indol-7-yl)-N-methylmethanesulfonamide
CID 146446841
[3-[2-(dimethylamino)ethyl]-2-iodo-1H-indol-4-yl] propanoate
CID 162478106
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 21188875
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
N-[4-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl]benzamide;hydrochloride
CID 70250541
2-[2-[(4-chlorophenyl)sulfonylmethyl]-5-fluoro-1H-indol-3-yl]-N,N-dimethylethanamine
CID 16660530
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide (CID 157042553) is 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1cccc2[nH]c(Cl)c(CCN(C)C)c12.
What is the InChIKey of 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide?
The InChIKey is REQQSHZLRMFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-16-21(19,20)9-10-5-4-6-12-13(10)11(14(15)17-12)7-8-18(2)3/h4-6,16-17H,7-9H2,1-3H3.
What are the key properties of 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide?
1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide has a molecular weight of 329.85 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157042553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).