2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide

C16H25BrN2O3S — CID 32537367

IUPAC2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O3S/c1-6-7-11(2)18-15(20)13-10-12(8-9-14(13)17)23(21,22)19-16(3,4)5/h8-11,19H,6-7H2,1-5H3,(H,18,20)/t11-/m1/s1
InChIKeyLEDYSZHCKRSSCO-LLVKDONJSA-N
MW405.36 g/mol
LogP3.44
Rot. Bonds6

About 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide

2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 32537367) has the molecular formula C16H25BrN2O3S and a molecular weight of 405.36 g/mol. Its IUPAC name is 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
PubChem CID32537367
Molecular FormulaC16H25BrN2O3S
Molecular Weight405.36 g/mol
Exact Mass404.08
IUPAC Name2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O3S/c1-6-7-11(2)18-15(20)13-10-12(8-9-14(13)17)23(21,22)19-16(3,4)5/h8-11,19H,6-7H2,1-5H3,(H,18,20)/t11-/m1/s1
InChIKeyLEDYSZHCKRSSCO-LLVKDONJSA-N
XLogP3.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-pentan-2-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42904727
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2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
CID 32886231
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
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CID 32896855
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2-bromo-5-(tert-butylsulfamoyl)-N-(3-fluorophenyl)benzamide
CID 26579182
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 32795071

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide (CID 32537367) is 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br.
What is the InChIKey of 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is LEDYSZHCKRSSCO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H25BrN2O3S/c1-6-7-11(2)18-15(20)13-10-12(8-9-14(13)17)23(21,22)19-16(3,4)5/h8-11,19H,6-7H2,1-5H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide?
2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 405.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 32537367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).