5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide

C14H21BrN2O3S — CID 65387785

IUPAC5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-8(2)5-9(3)17-14(18)12-6-11(15)7-13(10(12)4)21(16,19)20/h6-9H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyZFZYNEZCYRBQNO-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.57
Rot. Bonds5

About 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide

5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65387785) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
PubChem CID65387785
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC(C)C)cc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C14H21BrN2O3S/c1-8(2)5-9(3)17-14(18)12-6-11(15)7-13(10(12)4)21(16,19)20/h6-9H,5H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyZFZYNEZCYRBQNO-UHFFFAOYSA-N
XLogP2.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
5-bromo-2-methyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65375575
5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
5-bromo-N-[2-(ethylamino)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 119507070
5-bromo-2-methyl-3-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368840
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide (CID 65387785) is 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide is Cc1c(C(=O)NC(C)CC(C)C)cc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is ZFZYNEZCYRBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-8(2)5-9(3)17-14(18)12-6-11(15)7-13(10(12)4)21(16,19)20/h6-9H,5H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide?
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65387785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).