3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide

C15H15ClN2O5S — CID 9413012

IUPAC3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(Cl)c1OC
InChIInChI=1S/C15H15ClN2O5S/c1-22-13-7-9(6-12(16)14(13)23-2)15(19)18-10-4-3-5-11(8-10)24(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyAMOLRALOJIHFQK-UHFFFAOYSA-N
MW370.81 g/mol
LogP2.26
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide

3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide (PubChem CID 9413012) has the molecular formula C15H15ClN2O5S and a molecular weight of 370.81 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
PubChem CID9413012
Molecular FormulaC15H15ClN2O5S
Molecular Weight370.81 g/mol
Exact Mass370.04
IUPAC Name3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(Cl)c1OC
InChIInChI=1S/C15H15ClN2O5S/c1-22-13-7-9(6-12(16)14(13)23-2)15(19)18-10-4-3-5-11(8-10)24(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyAMOLRALOJIHFQK-UHFFFAOYSA-N
XLogP2.26
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 26877954
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
N-(4-tert-butylphenyl)-3-chloro-4,5-dimethoxybenzamide
CID 7913840
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide (CID 9413012) is 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide is COc1cc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is AMOLRALOJIHFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5S/c1-22-13-7-9(6-12(16)14(13)23-2)15(19)18-10-4-3-5-11(8-10)24(17,20)21/h3-8H,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide?
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 370.81 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 9413012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).