2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide

C17H19BrN2O3S — CID 42940472

IUPAC2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
SMILESCCCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(24(19,22)23)9-10-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyHQEJVHKOMHCBST-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.37
Rot. Bonds6

About 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide

2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide (PubChem CID 42940472) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
PubChem CID42940472
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
SMILESCCCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(24(19,22)23)9-10-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyHQEJVHKOMHCBST-UHFFFAOYSA-N
XLogP3.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
propan-2-yl 3-[(2-bromo-5-sulfamoylbenzoyl)amino]-3-phenylpropanoate
CID 55439935
6-bromo-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56728788
2-bromo-N-(5-methylhexan-2-yl)-5-sulfamoylbenzamide
CID 42940827
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-fluoro-5-sulfamoylbenzoate
CID 9487710
2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
CID 43708581
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
3-bromo-4-methyl-N-(1-phenylbutyl)benzamide
CID 81457666
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide (CID 42940472) is 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide is CCCC(NC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide?
The InChIKey is HQEJVHKOMHCBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(24(19,22)23)9-10-15(14)18/h3-5,7-11,16H,2,6H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide?
2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide has a molecular weight of 411.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 42940472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).