2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide

C16H16ClFN2O3S — CID 26522089

IUPAC2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-10-4-6-12(24(22,23)20(2)3)9-15(10)19-16(21)13-7-5-11(18)8-14(13)17/h4-9H,1-3H3,(H,19,21)
InChIKeyPXOPRWUZXMWWSC-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide

2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide (PubChem CID 26522089) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
PubChem CID26522089
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-10-4-6-12(24(22,23)20(2)3)9-15(10)19-16(21)13-7-5-11(18)8-14(13)17/h4-9H,1-3H3,(H,19,21)
InChIKeyPXOPRWUZXMWWSC-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]benzamide
CID 24580810
3-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2812461
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]benzoic acid
CID 2813889
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide (CID 26522089) is 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide?
The InChIKey is PXOPRWUZXMWWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-10-4-6-12(24(22,23)20(2)3)9-15(10)19-16(21)13-7-5-11(18)8-14(13)17/h4-9H,1-3H3,(H,19,21).
What are the key properties of 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide?
2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide has a molecular weight of 370.83 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-fluorobenzamide is sourced from PubChem (CID 26522089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).