4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide

C18H21ClN2O5S — CID 55595810

IUPAC4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1OC
InChIInChI=1S/C18H21ClN2O5S/c1-21(2)27(23,24)16-10-12(8-9-14(16)19)18(22)20-11-13-6-5-7-15(25-3)17(13)26-4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyKKVGGVBMNJOYDQ-UHFFFAOYSA-N
MW412.90 g/mol
LogP2.54
Rot. Bonds7

About 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide

4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 55595810) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID55595810
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1OC
InChIInChI=1S/C18H21ClN2O5S/c1-21(2)27(23,24)16-10-12(8-9-14(16)19)18(22)20-11-13-6-5-7-15(25-3)17(13)26-4/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyKKVGGVBMNJOYDQ-UHFFFAOYSA-N
XLogP2.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
4-chloro-3-(dimethylsulfamoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]benzamide
CID 55611853
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
4-chloro-3-(dimethylsulfamoyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55706412
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 27738377
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide (CID 55595810) is 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide is COc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1OC.
What is the InChIKey of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is KKVGGVBMNJOYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-21(2)27(23,24)16-10-12(8-9-14(16)19)18(22)20-11-13-6-5-7-15(25-3)17(13)26-4/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide?
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 412.90 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 55595810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).