N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide

C15H15ClFNO2S — CID 961845

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11-6-8-12(9-7-11)18(21(2,19)20)10-13-14(16)4-3-5-15(13)17/h3-9H,10H2,1-2H3
InChIKeyNSCIICQYTYOEEE-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.75
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide (PubChem CID 961845) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide
PubChem CID961845
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide
SMILESCc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-11-6-8-12(9-7-11)18(21(2,19)20)10-13-14(16)4-3-5-15(13)17/h3-9H,10H2,1-2H3
InChIKeyNSCIICQYTYOEEE-UHFFFAOYSA-N
XLogP3.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(2-chloro-6-fluorostyryl)-N-methylaniline
CID 57521314
(S)-2-chloro-4-((2-fluorobenzyl)(1-(methylsulfonyl)pyrrolidin-3-yl)amino)benzonitrile
CID 16661701
MAT2A inhibitor 4
CID 60141313
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 71584155
4-[2-(2-chloro-6-fluorophenyl)ethynyl]-N,N-dimethylaniline
CID 91938021
4-(3-chloro-4-methylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 700113
N-(2-fluorobenzyl)-N-(2-methylphenyl)methanesulfonamide
CID 838656
N-(2-fluorobenzyl)-N-(3-methylphenyl)methanesulfonamide
CID 966907
N-(4-chlorobenzyl)-N-(3-methylphenyl)methanesulfonamide
CID 967645
4-[(2-Chloro-6-fluorobenzyl)amino]benzenesulfonamide
CID 834457
N-[4-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 11810334
N-benzyl-N-phenylmethanesulfonamide
CID 967762

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide (CID 961845) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide is Cc1ccc(N(Cc2c(F)cccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is NSCIICQYTYOEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-11-6-8-12(9-7-11)18(21(2,19)20)10-13-14(16)4-3-5-15(13)17/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 961845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).