4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide

C15H14BrFN2O4S — CID 37260856

IUPAC4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Br)cc2F)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H14BrFN2O4S/c1-23-14-8-10(4-6-13(14)19-24(2,21)22)18-15(20)11-5-3-9(16)7-12(11)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyHLZBRSMKVXLOJN-UHFFFAOYSA-N
MW417.26 g/mol
LogP3.22
Rot. Bonds5

About 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide

4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide (PubChem CID 37260856) has the molecular formula C15H14BrFN2O4S and a molecular weight of 417.26 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
PubChem CID37260856
Molecular FormulaC15H14BrFN2O4S
Molecular Weight417.26 g/mol
Exact Mass415.98
IUPAC Name4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Br)cc2F)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H14BrFN2O4S/c1-23-14-8-10(4-6-13(14)19-24(2,21)22)18-15(20)11-5-3-9(16)7-12(11)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyHLZBRSMKVXLOJN-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229
2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259434
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495
4-[(4-bromo-2-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43100929
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
CID 60509529

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide (CID 37260856) is 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2ccc(Br)cc2F)ccc1NS(C)(=O)=O.
What is the InChIKey of 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The InChIKey is HLZBRSMKVXLOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O4S/c1-23-14-8-10(4-6-13(14)19-24(2,21)22)18-15(20)11-5-3-9(16)7-12(11)17/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide has a molecular weight of 417.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 37260856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).