2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride

C8H9Cl2FN2O3S — CID 141137418

IUPAC2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(C(N)=O)c(Cl)cc1F.Cl
InChIInChI=1S/C8H8ClFN2O3S.ClH/c1-16(14,15)12-7-2-4(8(11)13)5(9)3-6(7)10;/h2-3,12H,1H3,(H2,11,13);1H
InChIKeyDDMHFIXEMZKYJO-UHFFFAOYSA-N
MW303.14 g/mol
LogP1.37
Rot. Bonds3

About 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride

2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride (PubChem CID 141137418) has the molecular formula C8H9Cl2FN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
PubChem CID141137418
Molecular FormulaC8H9Cl2FN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.97
IUPAC Name2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(C(N)=O)c(Cl)cc1F.Cl
InChIInChI=1S/C8H8ClFN2O3S.ClH/c1-16(14,15)12-7-2-4(8(11)13)5(9)3-6(7)10;/h2-3,12H,1H3,(H2,11,13);1H
InChIKeyDDMHFIXEMZKYJO-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-2-fluoro-5-(methanesulfonamido)benzamide
CID 70968696
2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
N-[4-(aminomethyl)-2,5-difluorophenyl]methanesulfonamide;hydrochloride
CID 67241880
methyl 2-chloro-4-fluoro-5-hydrazinylbenzoate;hydrochloride
CID 57422994
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 25487071
5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide
CID 79585482
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
N-[4-[(1R)-1-aminoethyl]-2,5-difluorophenyl]methanesulfonamide;hydrochloride
CID 67047461
2,6-difluoro-3-(methanesulfonamido)benzamide
CID 169218137
N-[4-[[3-chloro-4-(methanesulfonamido)phenyl]carbamothioylamino]phenyl]-2-fluorobenzamide
CID 15955499
5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
CID 2856958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride?
The IUPAC name of 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride (CID 141137418) is 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride is CS(=O)(=O)Nc1cc(C(N)=O)c(Cl)cc1F.Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride?
The InChIKey is DDMHFIXEMZKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3S.ClH/c1-16(14,15)12-7-2-4(8(11)13)5(9)3-6(7)10;/h2-3,12H,1H3,(H2,11,13);1H.
What are the key properties of 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride?
2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride has a molecular weight of 303.14 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride is sourced from PubChem (CID 141137418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).