N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide

C22H21ClN2O5S — CID 46465633

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc(Cl)c1OC
InChIInChI=1S/C22H21ClN2O5S/c1-14-9-10-16(13-19(14)25-31(27,28)17-7-5-4-6-8-17)24-22(26)15-11-18(23)21(30-3)20(12-15)29-2/h4-13,25H,1-3H3,(H,24,26)
InChIKeyIJVOUQYLOPYPAE-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.72
Rot. Bonds7

About N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide (PubChem CID 46465633) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
PubChem CID46465633
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc(Cl)c1OC
InChIInChI=1S/C22H21ClN2O5S/c1-14-9-10-16(13-19(14)25-31(27,28)17-7-5-4-6-8-17)24-22(26)15-11-18(23)21(30-3)20(12-15)29-2/h4-13,25H,1-3H3,(H,24,26)
InChIKeyIJVOUQYLOPYPAE-UHFFFAOYSA-N
XLogP4.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 26877954
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
3-chloro-4,5-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 4033841
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-butoxybenzamide
CID 55705690
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide (CID 46465633) is N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc(Cl)c1OC.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide?
The InChIKey is IJVOUQYLOPYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-14-9-10-16(13-19(14)25-31(27,28)17-7-5-4-6-8-17)24-22(26)15-11-18(23)21(30-3)20(12-15)29-2/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide has a molecular weight of 460.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 46465633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).