N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide

C14H12Cl2FNO2S — CID 5017965

IUPACN-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-9-2-4-12(17)7-14(9)21(19,20)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3
InChIKeyPFHCMIGXKQYHJG-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.92
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide

N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 5017965) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID5017965
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-9-2-4-12(17)7-14(9)21(19,20)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3
InChIKeyPFHCMIGXKQYHJG-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 25057334
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
2,5-dichloro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 4858598
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
N-[(2-bromophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 115610877
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide (CID 5017965) is N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PFHCMIGXKQYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c1-9-2-4-12(17)7-14(9)21(19,20)18-8-10-6-11(15)3-5-13(10)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 348.23 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 5017965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).