3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide

C18H21BrN2O4S — CID 43002606

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
SMILESCCC(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O4S/c1-4-12(2)20-18(22)13-5-10-16(25-3)17(11-13)26(23,24)21-15-8-6-14(19)7-9-15/h5-12,21H,4H2,1-3H3,(H,20,22)
InChIKeyLCGXYNGCCYIOIV-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.79
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide (PubChem CID 43002606) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
PubChem CID43002606
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
SMILESCCC(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H21BrN2O4S/c1-4-12(2)20-18(22)13-5-10-16(25-3)17(11-13)26(23,24)21-15-8-6-14(19)7-9-15/h5-12,21H,4H2,1-3H3,(H,20,22)
InChIKeyLCGXYNGCCYIOIV-UHFFFAOYSA-N
XLogP3.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
CID 55346445
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26887067
N-butan-2-yl-4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzamide
CID 109059069
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide (CID 43002606) is 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide is CCC(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide?
The InChIKey is LCGXYNGCCYIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-4-12(2)20-18(22)13-5-10-16(25-3)17(11-13)26(23,24)21-15-8-6-14(19)7-9-15/h5-12,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide has a molecular weight of 441.35 g/mol, XLogP of 3.79, 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]-N-butan-2-yl-4-methoxybenzamide is sourced from PubChem (CID 43002606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).