2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide

C10H8F2N2O2S2 — CID 118121063

IUPAC2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1F
InChIInChI=1S/C10H8F2N2O2S2/c1-6-2-9(8(12)3-7(6)11)18(15,16)14-10-4-17-5-13-10/h2-5,14H,1H3
InChIKeyKYHZSRJROFPDMK-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.53
Rot. Bonds3

About 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide

2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 118121063) has the molecular formula C10H8F2N2O2S2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID118121063
Molecular FormulaC10H8F2N2O2S2
Molecular Weight290.32 g/mol
Exact Mass290.00
IUPAC Name2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1F
InChIInChI=1S/C10H8F2N2O2S2/c1-6-2-9(8(12)3-7(6)11)18(15,16)14-10-4-17-5-13-10/h2-5,14H,1H3
InChIKeyKYHZSRJROFPDMK-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 174945014
4-(4-chlorophenoxy)-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 141418403
5-chloro-4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585563
N-(1,3-thiazol-4-yl)methanesulfonamide
CID 135331205
5-chloro-2-fluoro-4-[1-[2-fluoro-5-(2-oxoethyl)phenyl]ethylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585789
5-chloro-2-fluoro-4-[[(1S)-1-[2-fluoro-5-(2-hydroxyethyl)phenyl]ethyl]amino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175233043
5-chloro-2-fluoro-4-[3-(2-fluorophenyl)propoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 175233055
5-[(2-bromo-3,6-difluorophenyl)methylamino]-3-fluoro-6-methyl-N-(1,3-thiazol-4-yl)pyridine-2-sulfonamide
CID 146565805
5-chloro-4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585564
4-[[4-chloro-2-[2-(ethylamino)ethylamino]phenyl]methylamino]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 146493177
5-chloro-2-fluoro-4-[2-[methyl-[2-(methylamino)ethyl]amino]anilino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 129135856
5-chloro-2-fluoro-4-[[2-fluoro-6-[(3-methylazetidin-1-yl)methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134598733

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide (CID 118121063) is 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is KYHZSRJROFPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2S2/c1-6-2-9(8(12)3-7(6)11)18(15,16)14-10-4-17-5-13-10/h2-5,14H,1H3.
What are the key properties of 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide?
2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 118121063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).