3,5-dichloro-N-(2-methylsulfonylethyl)benzamide

C10H11Cl2NO3S — CID 47230479

IUPAC3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO3S/c1-17(15,16)3-2-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyGOYUZYRTXNAPBA-UHFFFAOYSA-N
MW296.18 g/mol
LogP1.77
Rot. Bonds4

About 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide

3,5-dichloro-N-(2-methylsulfonylethyl)benzamide (PubChem CID 47230479) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
PubChem CID47230479
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Name3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO3S/c1-17(15,16)3-2-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyGOYUZYRTXNAPBA-UHFFFAOYSA-N
XLogP1.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-propylbenzamide
CID 2767298
2,3-dimethyl-5-(2-methylsulfonylethylcarbamoyl)benzenesulfonyl chloride
CID 65370576
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
2-[(3,5-dichlorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 43098910
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145
3,5-dichloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide;hydrochloride
CID 71782782
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
5-hydroxy-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 63866364

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide (CID 47230479) is 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide is CS(=O)(=O)CCNC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is GOYUZYRTXNAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-17(15,16)3-2-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide?
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 296.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 47230479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).