4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide

C12H11F2N3OS — CID 18152749

IUPAC4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(SC(F)F)cc2)n1
InChIInChI=1S/C12H11F2N3OS/c1-17-7-6-10(16-17)15-11(18)8-2-4-9(5-3-8)19-12(13)14/h2-7,12H,1H3,(H,15,16,18)
InChIKeyMZBOTQDPWJXGEU-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.99
Rot. Bonds4

About 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide

4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 18152749) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID18152749
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC Name4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(SC(F)F)cc2)n1
InChIInChI=1S/C12H11F2N3OS/c1-17-7-6-10(16-17)15-11(18)8-2-4-9(5-3-8)19-12(13)14/h2-7,12H,1H3,(H,15,16,18)
InChIKeyMZBOTQDPWJXGEU-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-(difluoromethylsulfanyl)-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75477317
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide
CID 55504518
4-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-diethylbenzamide
CID 24617722
N-(1-methylpyrazol-3-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490647
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 18152573
4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 134026280
3-amino-4-bromo-N-(1-methylpyrazol-3-yl)benzamide
CID 61104249
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818
4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152630

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide (CID 18152749) is 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(SC(F)F)cc2)n1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is MZBOTQDPWJXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c1-17-7-6-10(16-17)15-11(18)8-2-4-9(5-3-8)19-12(13)14/h2-7,12H,1H3,(H,15,16,18).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide?
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 283.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 18152749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).