N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide

C15H17FN2O2S — CID 113092579

IUPACN-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1N(C)C
InChIInChI=1S/C15H17FN2O2S/c1-11-6-4-5-7-15(11)21(19,20)17-13-10-12(16)8-9-14(13)18(2)3/h4-10,17H,1-3H3
InChIKeyQBQDACDUELUUIZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide

N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide (PubChem CID 113092579) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
PubChem CID113092579
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc(F)ccc1N(C)C
InChIInChI=1S/C15H17FN2O2S/c1-11-6-4-5-7-15(11)21(19,20)17-13-10-12(16)8-9-14(13)18(2)3/h4-10,17H,1-3H3
InChIKeyQBQDACDUELUUIZ-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-methylbenzenesulfonamide
CID 113093138
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
5-bromo-N-[2-(dimethylamino)-5-fluorophenyl]thiophene-2-sulfonamide
CID 113092573
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
CID 113092578
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide (CID 113092579) is N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cc(F)ccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide?
The InChIKey is QBQDACDUELUUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-6-4-5-7-15(11)21(19,20)17-13-10-12(16)8-9-14(13)18(2)3/h4-10,17H,1-3H3.
What are the key properties of N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide?
N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-fluorophenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113092579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).