4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C11H11FN2O2S2 — CID 110739007

IUPAC4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2O2S2/c1-8-6-13-11(17-8)7-14-18(15,16)10-4-2-9(12)3-5-10/h2-6,14H,7H2,1H3
InChIKeyYBNILLISZARHHK-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.07
Rot. Bonds4

About 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110739007) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110739007
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H11FN2O2S2/c1-8-6-13-11(17-8)7-14-18(15,16)10-4-2-9(12)3-5-10/h2-6,14H,7H2,1H3
InChIKeyYBNILLISZARHHK-UHFFFAOYSA-N
XLogP2.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110739068
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868457
3-bromo-4-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 103697865
4-amino-3,5-dichloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 167814406
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
CID 110739056
4-hydrazinyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 114128380
1-(5-chloro-2-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 99605996
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
4-ethylsulfonyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 103895801
4-methoxy-2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739054

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 110739007) is 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YBNILLISZARHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-8-6-13-11(17-8)7-14-18(15,16)10-4-2-9(12)3-5-10/h2-6,14H,7H2,1H3.
What are the key properties of 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110739007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).