4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide

C16H17FN2O3S — CID 110776363

IUPAC4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1F
InChIInChI=1S/C16H17FN2O3S/c1-11-10-13(6-9-15(11)17)18-16(20)12-4-7-14(8-5-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyMENJBBVMSRZQAP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.64
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide

4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide (PubChem CID 110776363) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
PubChem CID110776363
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1F
InChIInChI=1S/C16H17FN2O3S/c1-11-10-13(6-9-15(11)17)18-16(20)12-4-7-14(8-5-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)
InChIKeyMENJBBVMSRZQAP-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 4264331
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
N-(5-chloro-2-fluorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 2664664
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-(dimethylsulfamoyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)benzamide
CID 55856122
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide (CID 110776363) is 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1F.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide?
The InChIKey is MENJBBVMSRZQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-10-13(6-9-15(11)17)18-16(20)12-4-7-14(8-5-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide?
4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(4-fluoro-3-methylphenyl)benzamide is sourced from PubChem (CID 110776363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).