3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide

C19H23BrN2O4S — CID 43016571

IUPAC3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-12(2)13(3)21-19(23)14-5-10-17(26-4)18(11-14)27(24,25)22-16-8-6-15(20)7-9-16/h5-13,22H,1-4H3,(H,21,23)
InChIKeyYBDYBYNEDPDCQJ-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.03
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide

3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43016571) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
PubChem CID43016571
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-12(2)13(3)21-19(23)14-5-10-17(26-4)18(11-14)27(24,25)22-16-8-6-15(20)7-9-16/h5-13,22H,1-4H3,(H,21,23)
InChIKeyYBDYBYNEDPDCQJ-UHFFFAOYSA-N
XLogP4.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016572
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613291
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
CID 17480974
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-4-fluorobenzamide
CID 26850573
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide (CID 43016571) is 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide is COc1ccc(C(=O)NC(C)C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is YBDYBYNEDPDCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-12(2)13(3)21-19(23)14-5-10-17(26-4)18(11-14)27(24,25)22-16-8-6-15(20)7-9-16/h5-13,22H,1-4H3,(H,21,23).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 455.37 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43016571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).