3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide

C16H17FN2O3S — CID 87026306

IUPAC3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-7-8-13(17)10-15(11)18-23(21,22)14-6-4-5-12(9-14)16(20)19(2)3/h4-10,18H,1-3H3
InChIKeyATLRYVNZCMRPOW-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.64
Rot. Bonds4

About 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide

3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 87026306) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
PubChem CID87026306
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C16H17FN2O3S/c1-11-7-8-13(17)10-15(11)18-23(21,22)14-6-4-5-12(9-14)16(20)19(2)3/h4-10,18H,1-3H3
InChIKeyATLRYVNZCMRPOW-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,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 60534940
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-fluorobenzenesulfonamide
CID 91650300
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
CID 75394970
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide (CID 87026306) is 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide is Cc1ccc(F)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is ATLRYVNZCMRPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-11-7-8-13(17)10-15(11)18-23(21,22)14-6-4-5-12(9-14)16(20)19(2)3/h4-10,18H,1-3H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide?
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide 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 3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 87026306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).