4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide

C20H16BrClN2O4S — CID 34081382

IUPAC4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16BrClN2O4S/c1-28-18-11-10-17(23-20(25)13-2-4-14(21)5-3-13)12-19(18)29(26,27)24-16-8-6-15(22)7-9-16/h2-12,24H,1H3,(H,23,25)
InChIKeyOTKSYCISADEZHY-UHFFFAOYSA-N
MW495.78 g/mol
LogP5.16
Rot. Bonds6

About 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide

4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide (PubChem CID 34081382) has the molecular formula C20H16BrClN2O4S and a molecular weight of 495.78 g/mol. Its IUPAC name is 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
PubChem CID34081382
Molecular FormulaC20H16BrClN2O4S
Molecular Weight495.78 g/mol
Exact Mass493.97
IUPAC Name4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16BrClN2O4S/c1-28-18-11-10-17(23-20(25)13-2-4-14(21)5-3-13)12-19(18)29(26,27)24-16-8-6-15(22)7-9-16/h2-12,24H,1H3,(H,23,25)
InChIKeyOTKSYCISADEZHY-UHFFFAOYSA-N
XLogP5.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.78
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 34081551
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
CID 30285125
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide (CID 34081382) is 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide?
The InChIKey is OTKSYCISADEZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O4S/c1-28-18-11-10-17(23-20(25)13-2-4-14(21)5-3-13)12-19(18)29(26,27)24-16-8-6-15(22)7-9-16/h2-12,24H,1H3,(H,23,25).
What are the key properties of 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide?
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide has a molecular weight of 495.78 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 34081382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).