N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide

C15H14ClNO5S — CID 11279720

IUPACN-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C15H14ClNO5S/c1-21-11-5-8-13(14(9-11)22-2)15(18)17-23(19,20)12-6-3-10(16)4-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyXMMNALAEFPAOOT-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.48
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide

N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide (PubChem CID 11279720) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
PubChem CID11279720
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC NameN-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C15H14ClNO5S/c1-21-11-5-8-13(14(9-11)22-2)15(18)17-23(19,20)12-6-3-10(16)4-7-12/h3-9H,1-2H3,(H,17,18)
InChIKeyXMMNALAEFPAOOT-UHFFFAOYSA-N
XLogP2.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 2637800
4-chloro-2-methoxy-N-[[6-(2,4,6-trimethylphenyl)-3-pyridinyl]sulfonyl]benzamide
CID 25115150
4-chloro-2-[(2,4-dimethoxybenzoyl)amino]benzoic acid
CID 45436153
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
4-chloro-N-(4-chlorophenyl)sulfonyl-2-propylbenzamide
CID 11181426
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
CID 174958314
3-chloro-N-(4-chlorophenyl)sulfonyl-4-ethoxy-5-methoxybenzamide
CID 51109848
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
2,4-dimethoxybenzoate
CID 6947027
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide (CID 11279720) is N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide is COc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide?
The InChIKey is XMMNALAEFPAOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-21-11-5-8-13(14(9-11)22-2)15(18)17-23(19,20)12-6-3-10(16)4-7-12/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide?
N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide has a molecular weight of 355.80 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2,4-dimethoxybenzamide is sourced from PubChem (CID 11279720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).