3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide

C11H14ClNOS — CID 10435549

IUPAC3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide
SMILESCCSc1c(Cl)cccc1C(=O)N(C)C
InChIInChI=1S/C11H14ClNOS/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKeyUDUZNTSIQOZGMY-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.15
Rot. Bonds3

About 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide

3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide (PubChem CID 10435549) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide
PubChem CID10435549
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide
SMILESCCSc1c(Cl)cccc1C(=O)N(C)C
InChIInChI=1S/C11H14ClNOS/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKeyUDUZNTSIQOZGMY-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
2-(2-chlorophenyl)-N,N-dimethylbenzamide
CID 175929167
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
4-chloro-3-ethylsulfanyl-2-methylbenzoic acid
CID 66739177
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one
CID 22145447
N,N-dimethylchrysene-1-carboxamide
CID 140682617
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
3-[[2-(2,6-dichlorophenyl)acetyl]amino]-N,N,2-trimethylbenzamide
CID 131902894

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide (CID 10435549) is 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide is CCSc1c(Cl)cccc1C(=O)N(C)C.
What is the InChIKey of 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide?
The InChIKey is UDUZNTSIQOZGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3.
What are the key properties of 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide?
3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide has a molecular weight of 243.76 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethylsulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 10435549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).