5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide

C17H18BrClN2O4S — CID 42906818

IUPAC5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C17H18BrClN2O4S/c1-11(10-25-2)21-26(23,24)14-6-4-13(5-7-14)20-17(22)15-9-12(18)3-8-16(15)19/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyGXPSRCCUXQRDJA-UHFFFAOYSA-N
MW461.77 g/mol
LogP3.67
Rot. Bonds7

About 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 42906818) has the molecular formula C17H18BrClN2O4S and a molecular weight of 461.77 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID42906818
Molecular FormulaC17H18BrClN2O4S
Molecular Weight461.77 g/mol
Exact Mass459.99
IUPAC Name5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C17H18BrClN2O4S/c1-11(10-25-2)21-26(23,24)14-6-4-13(5-7-14)20-17(22)15-9-12(18)3-8-16(15)19/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyGXPSRCCUXQRDJA-UHFFFAOYSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.77
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219705
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]quinoline-8-carboxamide
CID 39948388
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide (CID 42906818) is 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is GXPSRCCUXQRDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O4S/c1-11(10-25-2)21-26(23,24)14-6-4-13(5-7-14)20-17(22)15-9-12(18)3-8-16(15)19/h3-9,11,21H,10H2,1-2H3,(H,20,22).
What are the key properties of 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 461.77 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 42906818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).