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

C17H15FN2O2S2 — CID 10044198

IUPAC3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1sc(Cc2ccc(F)cc2)nc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H15FN2O2S2/c1-11-17(13-3-2-4-15(10-13)24(19,21)22)20-16(23-11)9-12-5-7-14(18)8-6-12/h2-8,10H,9H2,1H3,(H2,19,21,22)
InChIKeyDRBCAAANJMJTMK-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.50
Rot. Bonds4

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

3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 10044198) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID10044198
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC Name3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1sc(Cc2ccc(F)cc2)nc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H15FN2O2S2/c1-11-17(13-3-2-4-15(10-13)24(19,21)22)20-16(23-11)9-12-5-7-14(18)8-6-12/h2-8,10H,9H2,1H3,(H2,19,21,22)
InChIKeyDRBCAAANJMJTMK-UHFFFAOYSA-N
XLogP3.50
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 10450423
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174038
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
4-(4-bromophenyl)-2-[(3-bromophenyl)methyl]-5-methyl-1,3-thiazole
CID 79832407
methyl 2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306531
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
CID 116868765
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
3-(3,5-dimethylphenyl)benzenesulfonamide
CID 140585676
1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 79838986
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
CID 144505728

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide (CID 10044198) is 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide is Cc1sc(Cc2ccc(F)cc2)nc1-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is DRBCAAANJMJTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c1-11-17(13-3-2-4-15(10-13)24(19,21)22)20-16(23-11)9-12-5-7-14(18)8-6-12/h2-8,10H,9H2,1H3,(H2,19,21,22).
What are the key properties of 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide?
3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10044198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).