N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide

C15H11F2N3O3S2 — CID 7600080

IUPACN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccccc1C(=O)NNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H11F2N3O3S2/c1-25(22,23)12-5-3-2-4-9(12)14(21)19-20-15-18-13-10(17)6-8(16)7-11(13)24-15/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyPEMWIPVZDPXOHX-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.73
Rot. Bonds4

About N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide

N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide (PubChem CID 7600080) has the molecular formula C15H11F2N3O3S2 and a molecular weight of 383.40 g/mol. Its IUPAC name is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
PubChem CID7600080
Molecular FormulaC15H11F2N3O3S2
Molecular Weight383.40 g/mol
Exact Mass383.02
IUPAC NameN'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccccc1C(=O)NNc1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C15H11F2N3O3S2/c1-25(22,23)12-5-3-2-4-9(12)14(21)19-20-15-18-13-10(17)6-8(16)7-11(13)24-15/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyPEMWIPVZDPXOHX-UHFFFAOYSA-N
XLogP2.73
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.73
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'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 7105713
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxybenzohydrazide
CID 7600062
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzamide
CID 7267144
4-[[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 18553510
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzohydrazide
CID 16814085
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7599822
2-(4-chlorophenyl)sulfonyl-N'-(4,6-difluoro-1,3-benzothiazol-2-yl)acetohydrazide
CID 43953398
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzohydrazide
CID 41043783
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzohydrazide
CID 7600331
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide?
The IUPAC name of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide (CID 7600080) is N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide is CS(=O)(=O)c1ccccc1C(=O)NNc1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide?
The InChIKey is PEMWIPVZDPXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S2/c1-25(22,23)12-5-3-2-4-9(12)14(21)19-20-15-18-13-10(17)6-8(16)7-11(13)24-15/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide?
N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide has a molecular weight of 383.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzohydrazide is sourced from PubChem (CID 7600080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).