N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide

C15H12FN3O3S2 — CID 7599822

IUPACN'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C15H12FN3O3S2/c1-24(21,22)10-7-5-9(6-8-10)14(20)18-19-15-17-13-11(16)3-2-4-12(13)23-15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyKRPWSMUPUVWKIS-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.60
Rot. Bonds4

About N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide

N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide (PubChem CID 7599822) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
PubChem CID7599822
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC NameN'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C15H12FN3O3S2/c1-24(21,22)10-7-5-9(6-8-10)14(20)18-19-15-17-13-11(16)3-2-4-12(13)23-15/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyKRPWSMUPUVWKIS-UHFFFAOYSA-N
XLogP2.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
N'-(4-bromo-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 43953368
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 43953395
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599932
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide
CID 7565735
4-[butyl(ethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4172039
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
CID 4248363
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
N'-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzohydrazide
CID 7105563
N'-(4-chloro-1,3-benzothiazol-2-yl)-2,6-difluorobenzohydrazide
CID 7105594

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide (CID 7599822) is N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide is CS(=O)(=O)c1ccc(C(=O)NNc2nc3c(F)cccc3s2)cc1.
What is the InChIKey of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
The InChIKey is KRPWSMUPUVWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-24(21,22)10-7-5-9(6-8-10)14(20)18-19-15-17-13-11(16)3-2-4-12(13)23-15/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide?
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide has a molecular weight of 365.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 7599822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).