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

C11H11FN2O2S2 — CID 7152309

IUPAC4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyOMNYJUCZVIAMEB-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.07
Rot. Bonds4

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

4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 7152309) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID7152309
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(F)cc2)cs1
InChIInChI=1S/C11H11FN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyOMNYJUCZVIAMEB-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

4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
3-(aminomethyl)-4-fluoro-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 81427952
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 110717463
2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61066905
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzenesulfonamide
CID 82847743
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 7152309) is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(F)cc2)cs1.
What is the InChIKey of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is OMNYJUCZVIAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
4-fluoro-N-[(2-methyl-1,3-thiazol-4-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-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 7152309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).