N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide

C18H18BrN3O4S — CID 55879006

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O4S/c19-13-4-6-14(7-5-13)21-17(23)11-20-18(24)12-2-1-3-16(10-12)27(25,26)22-15-8-9-15/h1-7,10,15,22H,8-9,11H2,(H,20,24)(H,21,23)
InChIKeyCJUPKFKQPHSSTC-UHFFFAOYSA-N
MW452.33 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide

N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 55879006) has the molecular formula C18H18BrN3O4S and a molecular weight of 452.33 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID55879006
Molecular FormulaC18H18BrN3O4S
Molecular Weight452.33 g/mol
Exact Mass451.02
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESO=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O4S/c19-13-4-6-14(7-5-13)21-17(23)11-20-18(24)12-2-1-3-16(10-12)27(25,26)22-15-8-9-15/h1-7,10,15,22H,8-9,11H2,(H,20,24)(H,21,23)
InChIKeyCJUPKFKQPHSSTC-UHFFFAOYSA-N
XLogP2.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide 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

4-bromo-N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]benzamide
CID 24582386
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
[1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809117
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-(3-aminopropyl)-3-(cyclopropylsulfamoyl)benzamide
CID 119405427
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide (CID 55879006) is N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide is O=C(CNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is CJUPKFKQPHSSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O4S/c19-13-4-6-14(7-5-13)21-17(23)11-20-18(24)12-2-1-3-16(10-12)27(25,26)22-15-8-9-15/h1-7,10,15,22H,8-9,11H2,(H,20,24)(H,21,23).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 452.33 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 55879006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).