N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide

C16H19FN2O2S — CID 75493750

IUPACN-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccccc1N(C)C
InChIInChI=1S/C16H19FN2O2S/c1-12-8-9-14(17)10-16(12)22(20,21)18-11-13-6-4-5-7-15(13)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyVZVLQYHMWCJCKR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.68
Rot. Bonds5

About N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide

N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 75493750) has the molecular formula C16H19FN2O2S and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID75493750
Molecular FormulaC16H19FN2O2S
Molecular Weight322.41 g/mol
Exact Mass322.12
IUPAC NameN-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccccc1N(C)C
InChIInChI=1S/C16H19FN2O2S/c1-12-8-9-14(17)10-16(12)22(20,21)18-11-13-6-4-5-7-15(13)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyVZVLQYHMWCJCKR-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 5017965
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352
5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 28717278
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61283363
N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 61061992
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
CID 113092579
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide (CID 75493750) is N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCc1ccccc1N(C)C.
What is the InChIKey of N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is VZVLQYHMWCJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-12-8-9-14(17)10-16(12)22(20,21)18-11-13-6-4-5-7-15(13)19(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 75493750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).