N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide

C22H21BrN2O4S — CID 71771105

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
SMILESCOc1ccc(NC(=O)c2c(C)cccc2C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-14-5-4-6-15(2)21(14)22(26)24-18-11-12-19(29-3)20(13-18)30(27,28)25-17-9-7-16(23)8-10-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyXKVSGUHGYBPGJV-UHFFFAOYSA-N
MW489.39 g/mol
LogP5.13
Rot. Bonds6

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide (PubChem CID 71771105) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
PubChem CID71771105
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
SMILESCOc1ccc(NC(=O)c2c(C)cccc2C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-14-5-4-6-15(2)21(14)22(26)24-18-11-12-19(29-3)20(13-18)30(27,28)25-17-9-7-16(23)8-10-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyXKVSGUHGYBPGJV-UHFFFAOYSA-N
XLogP5.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.39
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]furan-3-carboxamide
CID 25348399
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
3-[(4-bromophenyl)sulfamoyl]-N-(3-ethynylphenyl)-4-methoxybenzamide
CID 30285125
(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
CID 35745347
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 39709166
N-[3-[(2-bromo-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26176103
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1-methyl-2-(trifluoromethyl)imidazole-4-carboxamide
CID 156859929

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide (CID 71771105) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide is COc1ccc(NC(=O)c2c(C)cccc2C)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide?
The InChIKey is XKVSGUHGYBPGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-14-5-4-6-15(2)21(14)22(26)24-18-11-12-19(29-3)20(13-18)30(27,28)25-17-9-7-16(23)8-10-17/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide has a molecular weight of 489.39 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 71771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).