2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide

C14H21BrN2O3S — CID 42940827

IUPAC2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
SMILESCC(C)CCC(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C14H21BrN2O3S/c1-9(2)4-5-10(3)17-14(18)12-8-11(21(16,19)20)6-7-13(12)15/h6-10H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyNFMCXURLYIRHQP-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.65
Rot. Bonds6

About 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide

2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide (PubChem CID 42940827) has the molecular formula C14H21BrN2O3S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
PubChem CID42940827
Molecular FormulaC14H21BrN2O3S
Molecular Weight377.30 g/mol
Exact Mass376.05
IUPAC Name2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
SMILESCC(C)CCC(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C14H21BrN2O3S/c1-9(2)4-5-10(3)17-14(18)12-8-11(21(16,19)20)6-7-13(12)15/h6-10H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyNFMCXURLYIRHQP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 43019463
2-methyl-N-(6-methylheptan-2-yl)-5-sulfamoylbenzamide
CID 46515920
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
CID 42940472
2-bromo-N-(6-methylheptan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 43008075
2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 32537367
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-bromo-N-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47163482
2-bromo-N-(3-methylsulfinylbutyl)-5-sulfamoylbenzamide
CID 115729445
2-methyl-N-[(2R)-5-methylhexan-2-yl]-5-(methylsulfamoyl)benzamide
CID 30804825
4-bromo-3-hydroxy-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 97239157

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide (CID 42940827) is 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide is CC(C)CCC(C)NC(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is NFMCXURLYIRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S/c1-9(2)4-5-10(3)17-14(18)12-8-11(21(16,19)20)6-7-13(12)15/h6-10H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide?
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 377.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 42940827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).