N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide

C21H27ClN2O3S — CID 26200265

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C21H27ClN2O3S/c1-5-10-24(11-6-2)28(26,27)18-9-7-8-17(14-18)21(25)23-20-16(4)12-15(3)13-19(20)22/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,23,25)
InChIKeyOYWJGFBMYUXTLA-UHFFFAOYSA-N
MW422.98 g/mol
LogP5.02
Rot. Bonds8

About N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide

N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide (PubChem CID 26200265) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide
PubChem CID26200265
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C21H27ClN2O3S/c1-5-10-24(11-6-2)28(26,27)18-9-7-8-17(14-18)21(25)23-20-16(4)12-15(3)13-19(20)22/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,23,25)
InChIKeyOYWJGFBMYUXTLA-UHFFFAOYSA-N
XLogP5.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.98
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 4849210
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446
3-(diethylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838749
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
CID 45340807
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009
3-[bis(2-methoxyethyl)sulfamoyl]-N-(2,4-dimethylphenyl)benzamide
CID 8001344
N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
CID 24687613
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
3-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109062953
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide (CID 26200265) is N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide?
The InChIKey is OYWJGFBMYUXTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-5-10-24(11-6-2)28(26,27)18-9-7-8-17(14-18)21(25)23-20-16(4)12-15(3)13-19(20)22/h7-9,12-14H,5-6,10-11H2,1-4H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide has a molecular weight of 422.98 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 26200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).