N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide

C17H20FNO2S — CID 3865899

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C17H20FNO2S/c1-12-4-6-15(14(3)10-12)8-9-19-22(20,21)17-11-16(18)7-5-13(17)2/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyNRSXKKPLPYONJT-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.27
Rot. Bonds5

About N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide

N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 3865899) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID3865899
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C17H20FNO2S/c1-12-4-6-15(14(3)10-12)8-9-19-22(20,21)17-11-16(18)7-5-13(17)2/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyNRSXKKPLPYONJT-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3669015
N-[2-(2,4-dimethylphenyl)ethyl]-9,10-dioxoanthracene-1-sulfonamide
CID 3787610
5-fluoro-2-methyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628679
N-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 30867090
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
5-fluoro-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methylbenzenesulfonamide
CID 3856276
N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 5017965
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide (CID 3865899) is N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(CCNS(=O)(=O)c2cc(F)ccc2C)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is NRSXKKPLPYONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-12-4-6-15(14(3)10-12)8-9-19-22(20,21)17-11-16(18)7-5-13(17)2/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 3865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).