3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide

C14H21BrN2O3S — CID 81479870

IUPAC3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21BrN2O3S/c1-3-4-5-6-7-17-14(18)11-8-12(15)10(2)13(9-11)21(16,19)20/h8-9H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyKDZCHBSIWHOKRW-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.72
Rot. Bonds7

About 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide

3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide (PubChem CID 81479870) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
PubChem CID81479870
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
SMILESCCCCCCNC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21BrN2O3S/c1-3-4-5-6-7-17-14(18)11-8-12(15)10(2)13(9-11)21(16,19)20/h8-9H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyKDZCHBSIWHOKRW-UHFFFAOYSA-N
XLogP2.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide 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-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574
N-hexyl-3-methyl-5-sulfamoylbenzamide
CID 65380984
5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
CID 119235149
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
3,4-dimethyl-5-(methylsulfamoyl)-N-pentylbenzamide
CID 17476236
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
CID 81479852
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
3,5-diamino-N-hexadecylbenzamide
CID 54469516

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide (CID 81479870) is 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide is CCCCCCNC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide?
The InChIKey is KDZCHBSIWHOKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-3-4-5-6-7-17-14(18)11-8-12(15)10(2)13(9-11)21(16,19)20/h8-9H,3-7H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide?
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81479870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).