N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

C14H15FN2O2S2 — CID 110728008

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2csc(C3CC3)n2)ccc1F
InChIInChI=1S/C14H15FN2O2S2/c1-9-6-12(4-5-13(9)15)21(18,19)16-7-11-8-20-14(17-11)10-2-3-10/h4-6,8,10,16H,2-3,7H2,1H3
InChIKeyUHGBHIZURHPHLC-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.95
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 110728008) has the molecular formula C14H15FN2O2S2 and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID110728008
Molecular FormulaC14H15FN2O2S2
Molecular Weight326.42 g/mol
Exact Mass326.06
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2csc(C3CC3)n2)ccc1F
InChIInChI=1S/C14H15FN2O2S2/c1-9-6-12(4-5-13(9)15)21(18,19)16-7-11-8-20-14(17-11)10-2-3-10/h4-6,8,10,16H,2-3,7H2,1H3
InChIKeyUHGBHIZURHPHLC-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728005
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110728011
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110284985
4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)-3-methylbenzenesulfonamide
CID 110872199
4-fluoro-3-methyl-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 9188282
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
3-(aminomethyl)-4-fluoro-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 81427952

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide (CID 110728008) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2csc(C3CC3)n2)ccc1F.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is UHGBHIZURHPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S2/c1-9-6-12(4-5-13(9)15)21(18,19)16-7-11-8-20-14(17-11)10-2-3-10/h4-6,8,10,16H,2-3,7H2,1H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 110728008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).