2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C18H16FN3O3S2 — CID 36864504

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)/N=c1\sccn1C
InChIInChI=1S/C18H16FN3O3S2/c1-12-11-13(19)7-8-16(12)27(24,25)21-15-6-4-3-5-14(15)17(23)20-18-22(2)9-10-26-18/h3-11,21H,1-2H3/b20-18-
InChIKeyMXNCIXVWKXVADL-ZZEZOPTASA-N
MW405.48 g/mol
LogP3.08
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 36864504) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID36864504
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)/N=c1\sccn1C
InChIInChI=1S/C18H16FN3O3S2/c1-12-11-13(19)7-8-16(12)27(24,25)21-15-6-4-3-5-14(15)17(23)20-18-22(2)9-10-26-18/h3-11,21H,1-2H3/b20-18-
InChIKeyMXNCIXVWKXVADL-ZZEZOPTASA-N
XLogP3.08
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 36864504) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)/N=c1\sccn1C.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is MXNCIXVWKXVADL-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-12-11-13(19)7-8-16(12)27(24,25)21-15-6-4-3-5-14(15)17(23)20-18-22(2)9-10-26-18/h3-11,21H,1-2H3/b20-18-.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 405.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 36864504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).