N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide

C14H14F2N2O2S2 — CID 126824834

IUPACN-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(c3c(F)cccc3F)CCC2)s1
InChIInChI=1S/C14H14F2N2O2S2/c1-9-17-8-12(21-9)22(19,20)18-14(6-3-7-14)13-10(15)4-2-5-11(13)16/h2,4-5,8,18H,3,6-7H2,1H3
InChIKeyHOZTVBFOQMXKCW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide

N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 126824834) has the molecular formula C14H14F2N2O2S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID126824834
Molecular FormulaC14H14F2N2O2S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC NameN-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NC2(c3c(F)cccc3F)CCC2)s1
InChIInChI=1S/C14H14F2N2O2S2/c1-9-17-8-12(21-9)22(19,20)18-14(6-3-7-14)13-10(15)4-2-5-11(13)16/h2,4-5,8,18H,3,6-7H2,1H3
InChIKeyHOZTVBFOQMXKCW-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 107423383
2-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]cyclopentyl]acetic acid
CID 103414272
2-fluoro-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798280
N-[[2-(aminomethyl)phenyl]methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951424
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113368495
2-cyclopropyl-N-[1-(2,6-difluorophenyl)cyclobutyl]ethanesulfonamide
CID 131963119
N-(2-amino-4,6-difluorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413990
N-(2-aminocyclopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103951396
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
N-(2-bromocycloheptyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416113
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide (CID 126824834) is N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NC2(c3c(F)cccc3F)CCC2)s1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is HOZTVBFOQMXKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S2/c1-9-17-8-12(21-9)22(19,20)18-14(6-3-7-14)13-10(15)4-2-5-11(13)16/h2,4-5,8,18H,3,6-7H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide?
N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 344.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)cyclobutyl]-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 126824834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).