N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide

C21H17Cl2FN2O4S — CID 4069796

IUPACN-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2F)cc1
InChIInChI=1S/C21H17Cl2FN2O4S/c1-30-18-5-2-13(3-6-18)12-25-31(28,29)20-8-14(4-7-19(20)24)21(27)26-17-10-15(22)9-16(23)11-17/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyZRDVOAGMESGQJA-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.87
Rot. Bonds7

About N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide

N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 4069796) has the molecular formula C21H17Cl2FN2O4S and a molecular weight of 483.35 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID4069796
Molecular FormulaC21H17Cl2FN2O4S
Molecular Weight483.35 g/mol
Exact Mass482.03
IUPAC NameN-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2F)cc1
InChIInChI=1S/C21H17Cl2FN2O4S/c1-30-18-5-2-13(3-6-18)12-25-31(28,29)20-8-14(4-7-19(20)24)21(27)26-17-10-15(22)9-16(23)11-17/h2-11,25H,12H2,1H3,(H,26,27)
InChIKeyZRDVOAGMESGQJA-UHFFFAOYSA-N
XLogP4.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
N-(3,4-dichlorophenyl)-4-({[(3-methoxyphenyl)sulfonyl]amino}methyl)benzamide
CID 984403
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
2-chloro-N-(3-cyanophenyl)-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2084185
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 2089490
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
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
5-(benzylsulfamoyl)-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 3360601
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide
CID 3407818

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide (CID 4069796) is N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2F)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is ZRDVOAGMESGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O4S/c1-30-18-5-2-13(3-6-18)12-25-31(28,29)20-8-14(4-7-19(20)24)21(27)26-17-10-15(22)9-16(23)11-17/h2-11,25H,12H2,1H3,(H,26,27).
What are the key properties of N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide?
N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 483.35 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-fluoro-3-[(4-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4069796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).