2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide

C16H13ClN2OS — CID 67018379

IUPAC2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H13ClN2OS/c1-18-16(20)10-5-2-3-8-13(10)21-14-9-19-12-7-4-6-11(17)15(12)14/h2-9,19H,1H3,(H,18,20)
InChIKeyYKLDHPLFGJCPTO-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.33
Rot. Bonds3

About 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide

2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide (PubChem CID 67018379) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide
PubChem CID67018379
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H13ClN2OS/c1-18-16(20)10-5-2-3-8-13(10)21-14-9-19-12-7-4-6-11(17)15(12)14/h2-9,19H,1H3,(H,18,20)
InChIKeyYKLDHPLFGJCPTO-UHFFFAOYSA-N
XLogP4.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
CID 6928280
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
tert-butyl N-[3-[2-[(4-chloro-1H-indol-3-yl)sulfanyl]phenyl]propyl]-N-methylcarbamate
CID 69025409
2-hydroxysulfanyl-N-methylbenzamide
CID 91017491
3-[(3,4-dichloro-1H-indol-7-yl)amino]sulfanyl-2-fluoro-N-methylbenzamide
CID 164877481
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
2-bromo-3-chloro-N-methylbenzamide
CID 69377341
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 162647559
N-methyl-3-[3-(2-phenylethylsulfanyl)prop-1-en-2-yl]-1H-indole-4-carboxamide
CID 142144401
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 162666981
2-[(5-chloro-1H-indol-3-yl)sulfanyl]-N,N-dimethylbenzamide
CID 57461293

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide?
The IUPAC name of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide (CID 67018379) is 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide?
The canonical SMILES for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide is CNC(=O)c1ccccc1Sc1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide?
The InChIKey is YKLDHPLFGJCPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-18-16(20)10-5-2-3-8-13(10)21-14-9-19-12-7-4-6-11(17)15(12)14/h2-9,19H,1H3,(H,18,20).
What are the key properties of 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide?
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-methylbenzamide is sourced from PubChem (CID 67018379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).