4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide

C16H16ClFN2O3S — CID 39000293

IUPAC4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-10-8-12(18)5-7-15(10)24(22,23)19-14-9-11(4-6-13(14)17)16(21)20(2)3/h4-9,19H,1-3H3
InChIKeyCXLZGQIWUPFTNK-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.29
Rot. Bonds4

About 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide

4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide (PubChem CID 39000293) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
PubChem CID39000293
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-10-8-12(18)5-7-15(10)24(22,23)19-14-9-11(4-6-13(14)17)16(21)20(2)3/h4-9,19H,1-3H3
InChIKeyCXLZGQIWUPFTNK-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

3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833364
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
4-chloro-3-[(5-fluoro-2-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 87027257
4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60531609
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
CID 39833326
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
methyl 4-chloro-3-[(4-chloro-2-fluorophenyl)sulfonylamino]benzoate
CID 8500236
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-chloro-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 62999668

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide (CID 39000293) is 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide is Cc1cc(F)ccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is CXLZGQIWUPFTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-10-8-12(18)5-7-15(10)24(22,23)19-14-9-11(4-6-13(14)17)16(21)20(2)3/h4-9,19H,1-3H3.
What are the key properties of 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide?
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide 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 4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 39000293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).