3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide

C14H21BrN2O3S — CID 81479852

IUPAC3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21BrN2O3S/c1-4-6-11(5-2)17-14(18)10-7-12(15)9(3)13(8-10)21(16,19)20/h7-8,11H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyMXNAZKUWKNKLSP-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.71
Rot. Bonds6

About 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide

3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide (PubChem CID 81479852) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
PubChem CID81479852
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21BrN2O3S/c1-4-6-11(5-2)17-14(18)10-7-12(15)9(3)13(8-10)21(16,19)20/h7-8,11H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyMXNAZKUWKNKLSP-UHFFFAOYSA-N
XLogP2.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 81488768
4-bromo-3-chloro-N-pentan-3-yl-5-sulfamoylbenzamide
CID 81291212
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
4-bromo-2-chloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 65386333
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
2,4-dichloro-N-hexan-3-yl-5-sulfamoylbenzamide
CID 63297293
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
N-hexan-3-yl-3-hydroxy-4-methylbenzamide
CID 62118967
2-propoxyethyl 3-bromo-4-methyl-5-sulfamoylbenzoate
CID 81480042
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide?
The IUPAC name of 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide (CID 81479852) is 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide is CCCC(CC)NC(=O)c1cc(Br)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide?
The InChIKey is MXNAZKUWKNKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-4-6-11(5-2)17-14(18)10-7-12(15)9(3)13(8-10)21(16,19)20/h7-8,11H,4-6H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide?
3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-hexan-3-yl-4-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81479852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).