4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide

C20H25ClN2O4S — CID 8503404

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C20H25ClN2O4S/c1-4-13-27-18-10-8-7-9-17(18)22-20(24)15-11-12-16(21)19(14-15)28(25,26)23(5-2)6-3/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyIDYJDWHNCLEBMQ-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.41
Rot. Bonds9

About 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide (PubChem CID 8503404) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
PubChem CID8503404
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C20H25ClN2O4S/c1-4-13-27-18-10-8-7-9-17(18)22-20(24)15-11-12-16(21)19(14-15)28(25,26)23(5-2)6-3/h7-12,14H,4-6,13H2,1-3H3,(H,22,24)
InChIKeyIDYJDWHNCLEBMQ-UHFFFAOYSA-N
XLogP4.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 52707592
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
CID 41306963
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
CID 17475289
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55887161
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
3-[butyl(ethyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 5082468
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide (CID 8503404) is 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide is CCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
The InChIKey is IDYJDWHNCLEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-13-27-18-10-8-7-9-17(18)22-20(24)15-11-12-16(21)19(14-15)28(25,26)23(5-2)6-3/h7-12,14H,4-6,13H2,1-3H3,(H,22,24).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide has a molecular weight of 424.95 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 8503404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).