3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide

C14H13ClFNO2S — CID 5003390

IUPAC3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-9-3-5-12(8-13(9)15)20(18,19)17-14-6-4-11(16)7-10(14)2/h3-8,17H,1-2H3
InChIKeyZSIWEXUWDXBGFI-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.90
Rot. Bonds3

About 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide

3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 5003390) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID5003390
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1Cl
InChIInChI=1S/C14H13ClFNO2S/c1-9-3-5-12(8-13(9)15)20(18,19)17-14-6-4-11(16)7-10(14)2/h3-8,17H,1-2H3
InChIKeyZSIWEXUWDXBGFI-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide (CID 5003390) is 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1Cl.
What is the InChIKey of 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is ZSIWEXUWDXBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-9-3-5-12(8-13(9)15)20(18,19)17-14-6-4-11(16)7-10(14)2/h3-8,17H,1-2H3.
What are the key properties of 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide?
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 5003390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).