4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

C18H21ClN2O6S — CID 26102014

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C18H21ClN2O6S/c1-21(2)28(23,24)16-8-11(6-7-13(16)19)18(22)20-12-9-14(25-3)17(27-5)15(10-12)26-4/h6-10H,1-5H3,(H,20,22)
InChIKeyZWVBSJFSXZRSKB-UHFFFAOYSA-N
MW428.89 g/mol
LogP2.87
Rot. Bonds7

About 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide

4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 26102014) has the molecular formula C18H21ClN2O6S and a molecular weight of 428.89 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID26102014
Molecular FormulaC18H21ClN2O6S
Molecular Weight428.89 g/mol
Exact Mass428.08
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C18H21ClN2O6S/c1-21(2)28(23,24)16-8-11(6-7-13(16)19)18(22)20-12-9-14(25-3)17(27-5)15(10-12)26-4/h6-10H,1-5H3,(H,20,22)
InChIKeyZWVBSJFSXZRSKB-UHFFFAOYSA-N
XLogP2.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.89
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
3-[[(E)-but-2-enoyl]sulfamoyl]-4-chloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 164616717
4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 164616680
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
4-chloro-3-(dimethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26537805
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 26102014) is 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is ZWVBSJFSXZRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O6S/c1-21(2)28(23,24)16-8-11(6-7-13(16)19)18(22)20-12-9-14(25-3)17(27-5)15(10-12)26-4/h6-10H,1-5H3,(H,20,22).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 428.89 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 26102014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).