4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide

C12H17ClN2O3S — CID 2329888

IUPAC4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC)ccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-4-15(5-2)19(17,18)11-8-9(12(16)14-3)6-7-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyURPXTSDCXWJGQC-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.73
Rot. Bonds5

About 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide

4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide (PubChem CID 2329888) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide
PubChem CID2329888
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC)ccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-4-15(5-2)19(17,18)11-8-9(12(16)14-3)6-7-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyURPXTSDCXWJGQC-UHFFFAOYSA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12492
Brinaldix
CID 2804
Diapamide
CID 19394
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CID 34852311
N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
CID 126508480
N-butyl-4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzamide
CID 126509009
4-Sulfamylbenzamide,N-hexyl
CID 11778627
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 21189414
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
2-benzylsulfanyl-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507531
N-butyl-4-chloro-2-phenylsulfanyl-5-sulfamoylbenzamide
CID 126508306

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide (CID 2329888) is 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide?
The InChIKey is URPXTSDCXWJGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-4-15(5-2)19(17,18)11-8-9(12(16)14-3)6-7-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide?
4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide has a molecular weight of 304.80 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 2329888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).