2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide

C17H15BrF2N2O4S — CID 34274025

IUPAC2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C17H15BrF2N2O4S/c18-15-8-7-13(27(24,25)22-11-1-2-11)9-14(15)16(23)21-10-3-5-12(6-4-10)26-17(19)20/h3-9,11,17,22H,1-2H2,(H,21,23)
InChIKeyLNMACWBEOIOWJC-UHFFFAOYSA-N
MW461.28 g/mol
LogP3.74
Rot. Bonds7

About 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide

2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide (PubChem CID 34274025) has the molecular formula C17H15BrF2N2O4S and a molecular weight of 461.28 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
PubChem CID34274025
Molecular FormulaC17H15BrF2N2O4S
Molecular Weight461.28 g/mol
Exact Mass459.99
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C17H15BrF2N2O4S/c18-15-8-7-13(27(24,25)22-11-1-2-11)9-14(15)16(23)21-10-3-5-12(6-4-10)26-17(19)20/h3-9,11,17,22H,1-2H2,(H,21,23)
InChIKeyLNMACWBEOIOWJC-UHFFFAOYSA-N
XLogP3.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
N-[4-(cyclopropylsulfamoyl)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34431227
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
2-bromo-5-(cyclopropylsulfamoyl)benzoate
CID 7128950
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446304
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide (CID 34274025) is 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)F)cc1)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide?
The InChIKey is LNMACWBEOIOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O4S/c18-15-8-7-13(27(24,25)22-11-1-2-11)9-14(15)16(23)21-10-3-5-12(6-4-10)26-17(19)20/h3-9,11,17,22H,1-2H2,(H,21,23).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide?
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide has a molecular weight of 461.28 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 34274025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).