N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide

C21H19ClN2O5S — CID 3469023

IUPACN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C21H19ClN2O5S/c1-28-16-10-7-14(8-11-16)21(25)23-15-9-12-17(22)20(13-15)30(26,27)24-18-5-3-4-6-19(18)29-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUMHOUQLBHSXMRF-UHFFFAOYSA-N
MW446.91 g/mol
LogP4.41
Rot. Bonds7

About N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide

N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide (PubChem CID 3469023) has the molecular formula C21H19ClN2O5S and a molecular weight of 446.91 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide
PubChem CID3469023
Molecular FormulaC21H19ClN2O5S
Molecular Weight446.91 g/mol
Exact Mass446.07
IUPAC NameN-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIInChI=1S/C21H19ClN2O5S/c1-28-16-10-7-14(8-11-16)21(25)23-15-9-12-17(22)20(13-15)30(26,27)24-18-5-3-4-6-19(18)29-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUMHOUQLBHSXMRF-UHFFFAOYSA-N
XLogP4.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
N-(3-chlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984406
4-{[(5-chloro-2-methylphenyl)(phenylsulfonyl)amino]methyl}-N-(2-methoxyphenyl)benzamide
CID 1361816
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2447527
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 2460259
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2548470
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849
N-[5-[(2-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-4-ethoxybenzamide
CID 3503852
4-methoxy-N-[2-[2-methoxy-5-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]benzamide
CID 3875803
N-(3,5-Dichlorophenyl)-4-fluoro-3-{[(4-methoxyphenyl)methyl]sulfamoyl}benzamide
CID 4069796
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4359591

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide (CID 3469023) is N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1.
What is the InChIKey of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide?
The InChIKey is UMHOUQLBHSXMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S/c1-28-16-10-7-14(8-11-16)21(25)23-15-9-12-17(22)20(13-15)30(26,27)24-18-5-3-4-6-19(18)29-2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide?
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide has a molecular weight of 446.91 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 3469023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).