2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C13H17ClN2O4S — CID 34141661

IUPAC2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-8(2)16-12(17)7-15-13(18)10-6-9(21(3,19)20)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyLKGQZAAPOZLLAV-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.00
Rot. Bonds5

About 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 34141661) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID34141661
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C13H17ClN2O4S/c1-8(2)16-12(17)7-15-13(18)10-6-9(21(3,19)20)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyLKGQZAAPOZLLAV-UHFFFAOYSA-N
XLogP1.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
5-chloro-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43402430
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
2-chloro-N-[2-(3-chlorophenyl)ethyl]-5-methylsulfonylbenzamide
CID 39730732
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
2-chloro-5-methylsulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17478468
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
2-bromo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(prop-2-enylsulfamoyl)benzamide
CID 9301754
2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-5-methylsulfonylbenzamide
CID 78779008

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 34141661) is 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CC(C)NC(=O)CNC(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is LKGQZAAPOZLLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-8(2)16-12(17)7-15-13(18)10-6-9(21(3,19)20)4-5-11(10)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 332.81 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 34141661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).