4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide

C13H17ClN2O4S — CID 1092795

IUPAC4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17ClN2O4S/c1-15(2)13(17)10-3-4-11(14)12(9-10)21(18,19)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyHQGJWFKUAZQJTO-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.06
Rot. Bonds3

About 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1092795) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1092795
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C13H17ClN2O4S/c1-15(2)13(17)10-3-4-11(14)12(9-10)21(18,19)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyHQGJWFKUAZQJTO-UHFFFAOYSA-N
XLogP1.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
4-chloro-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 46426309
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
CID 55664196
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 7899792
(4-methoxyphenyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 42993326
4-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4192053
4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25378663
(2-amino-2-oxoethyl) 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 7667130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide (CID 1092795) is 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide is CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HQGJWFKUAZQJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-15(2)13(17)10-3-4-11(14)12(9-10)21(18,19)16-5-7-20-8-6-16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 332.81 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1092795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).