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

C15H14ClFN2O4S — CID 37259546

IUPAC2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H14ClFN2O4S/c1-23-14-8-10(4-6-13(14)19-24(2,21)22)18-15(20)11-5-3-9(17)7-12(11)16/h3-8,19H,1-2H3,(H,18,20)
InChIKeyJOZMOAIATKUXDJ-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.11
Rot. Bonds5

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

2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide (PubChem CID 37259546) has the molecular formula C15H14ClFN2O4S and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
PubChem CID37259546
Molecular FormulaC15H14ClFN2O4S
Molecular Weight372.81 g/mol
Exact Mass372.03
IUPAC Name2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H14ClFN2O4S/c1-23-14-8-10(4-6-13(14)19-24(2,21)22)18-15(20)11-5-3-9(17)7-12(11)16/h3-8,19H,1-2H3,(H,18,20)
InChIKeyJOZMOAIATKUXDJ-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55956277
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
2-[(4-fluorophenyl)methoxy]-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259434
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-nitrobenzamide
CID 39975932
methyl 4-[[4-[(2-chloro-4-fluorobenzoyl)amino]-3-methoxyphenyl]carbamoyl]-1H-imidazole-5-carboxylate
CID 118418950
2-chloro-N-(3,4-diethoxyphenyl)-4-fluorobenzamide
CID 26212713
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-bromo-2,2-difluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]acetamide
CID 51132083
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide (CID 37259546) is 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide is COc1cc(NC(=O)c2ccc(F)cc2Cl)ccc1NS(C)(=O)=O.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
The InChIKey is JOZMOAIATKUXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S/c1-23-14-8-10(4-6-13(14)19-24(2,21)22)18-15(20)11-5-3-9(17)7-12(11)16/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide?
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide has a molecular weight of 372.81 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 37259546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).