N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H15FN2O2S2 — CID 107327011

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H15FN2O2S2/c1-8-5-11(15)6-9(2)13(8)21(18,19)17-14-16-12(7-20-14)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,17)
InChIKeyJNJCNRBPWWADFA-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.58
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327011) has the molecular formula C14H15FN2O2S2 and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327011
Molecular FormulaC14H15FN2O2S2
Molecular Weight326.42 g/mol
Exact Mass326.06
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H15FN2O2S2/c1-8-5-11(15)6-9(2)13(8)21(18,19)17-14-16-12(7-20-14)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,17)
InChIKeyJNJCNRBPWWADFA-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
CID 653276
2,4,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzene-1-sulfonamide
CID 4413055
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 742422
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 32281234
N-(4-benzyl-1,3-thiazol-2-yl)methanesulfonamide
CID 86799006
2-Methanesulfonylamino-4-(1-(2-fluoro-4-biphenylyl)ethyl)thiazole
CID 15676049
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 87756521
N-[4-(3-ethyl-3-hydroxypentyl)-1,3-thiazol-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 87756697
4-[(1R,3R)-3-(5-ethyl-2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,3-thiazol-2-amine
CID 142058058
4-fluoro-2-methyl-N-[4-(oxan-4-yl)-1,3-thiazol-2-yl]benzenesulfinamide
CID 143227282
4-[[tert-butyl(methylidene)-lambda4-sulfanyl]methyl]-N-(3-fluoro-2-methylphenyl)sulfanyl-1,3-thiazol-2-amine
CID 143227354
4-[1-(3-Fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 175701851

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327011) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is JNJCNRBPWWADFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S2/c1-8-5-11(15)6-9(2)13(8)21(18,19)17-14-16-12(7-20-14)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).