2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide

C12H16ClNO2S — CID 114230616

IUPAC2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)N(C)CCCO)c1
InChIInChI=1S/C12H16ClNO2S/c1-14(6-3-7-15)12(16)10-8-9(17-2)4-5-11(10)13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyINEYHRRPOVPLFH-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.52
Rot. Bonds5

About 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide

2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide (PubChem CID 114230616) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
PubChem CID114230616
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)N(C)CCCO)c1
InChIInChI=1S/C12H16ClNO2S/c1-14(6-3-7-15)12(16)10-8-9(17-2)4-5-11(10)13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyINEYHRRPOVPLFH-UHFFFAOYSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
2-[(2-chloro-5-methylsulfanylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802576
methyl 4-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]butanoate
CID 60724326
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-methylsulfanylbenzamide
CID 27788246
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
3-[tert-butyl-(2-chloro-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 60826969
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide (CID 114230616) is 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)N(C)CCCO)c1.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide?
The InChIKey is INEYHRRPOVPLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-14(6-3-7-15)12(16)10-8-9(17-2)4-5-11(10)13/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide?
2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide has a molecular weight of 273.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 114230616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).