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

C24H20FN3O3S2 — CID 11431608

IUPAC2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3ccccc3F)cc2)s1
InChIInChI=1S/C24H20FN3O3S2/c1-16-6-2-3-7-19(16)23(29)21-15-26-24(32-21)28-18-12-10-17(11-13-18)14-27-33(30,31)22-9-5-4-8-20(22)25/h2-13,15,27H,14H2,1H3,(H,26,28)
InChIKeyFHPIPNBJWQYMLS-UHFFFAOYSA-N
MW481.57 g/mol
LogP5.04
Rot. Bonds8

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

2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide (PubChem CID 11431608) has the molecular formula C24H20FN3O3S2 and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
PubChem CID11431608
Molecular FormulaC24H20FN3O3S2
Molecular Weight481.57 g/mol
Exact Mass481.09
IUPAC Name2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3ccccc3F)cc2)s1
InChIInChI=1S/C24H20FN3O3S2/c1-16-6-2-3-7-19(16)23(29)21-15-26-24(32-21)28-18-12-10-17(11-13-18)14-27-33(30,31)22-9-5-4-8-20(22)25/h2-13,15,27H,14H2,1H3,(H,26,28)
InChIKeyFHPIPNBJWQYMLS-UHFFFAOYSA-N
XLogP5.04
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

[2-[4-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;2,4-difluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 87855220
4-chloro-N-[[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11397873
[2-[4-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzamide
CID 87854282
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
N-fluoro-N-[[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 175246075
2-chloro-N-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 11753209
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
CID 142276499
2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 24887011
[2-[3-(aminomethyl)anilino]-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;5-chlorothiophene-2-sulfonic acid
CID 174498850
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide (CID 11431608) is 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3ccccc3F)cc2)s1.
What is the InChIKey of 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
The InChIKey is FHPIPNBJWQYMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S2/c1-16-6-2-3-7-19(16)23(29)21-15-26-24(32-21)28-18-12-10-17(11-13-18)14-27-33(30,31)22-9-5-4-8-20(22)25/h2-13,15,27H,14H2,1H3,(H,26,28).
What are the key properties of 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide?
2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide has a molecular weight of 481.57 g/mol, XLogP of 5.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 11431608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).