2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide

C17H15ClN2OS — CID 57461293

IUPAC2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN2OS/c1-20(2)17(21)12-5-3-4-6-15(12)22-16-10-19-14-8-7-11(18)9-13(14)16/h3-10,19H,1-2H3
InChIKeyFNSMEEFGKAZQRM-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.67
Rot. Bonds3

About 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide

2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide (PubChem CID 57461293) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
PubChem CID57461293
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1Sc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H15ClN2OS/c1-20(2)17(21)12-5-3-4-6-15(12)22-16-10-19-14-8-7-11(18)9-13(14)16/h3-10,19H,1-2H3
InChIKeyFNSMEEFGKAZQRM-UHFFFAOYSA-N
XLogP4.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
N,N-dimethyl-2-phenylsulfanylbenzamide
CID 21402688
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
5-bromo-N,N-dimethyl-1H-indole-3-carboxamide
CID 22934720
CID 162765558
CID 162765558
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide
CID 122690115
2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
CID 1201721
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
CID 169025511
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide (CID 57461293) is 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1Sc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide?
The InChIKey is FNSMEEFGKAZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-20(2)17(21)12-5-3-4-6-15(12)22-16-10-19-14-8-7-11(18)9-13(14)16/h3-10,19H,1-2H3.
What are the key properties of 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide?
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide has a molecular weight of 330.84 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 57461293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).