4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide

C16H12F3N3O3S — CID 146091956

IUPAC4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C16H12F3N3O3S/c17-14-7-13(4-5-15(14)25-16(18)19)26(23,24)22-12-3-1-2-10(6-12)11-8-20-21-9-11/h1-9,16,22H,(H,20,21)
InChIKeyRHZCMIXIHYBWNQ-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.62
Rot. Bonds6

About 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide

4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 146091956) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide
PubChem CID146091956
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C16H12F3N3O3S/c17-14-7-13(4-5-15(14)25-16(18)19)26(23,24)22-12-3-1-2-10(6-12)11-8-20-21-9-11/h1-9,16,22H,(H,20,21)
InChIKeyRHZCMIXIHYBWNQ-UHFFFAOYSA-N
XLogP3.62
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]benzenesulfonamide
CID 60534485
N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-5-sulfonamide
CID 102691951
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
2-hydroxy-5-methoxy-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 146087314
N-(3,4-dichloro-1H-indol-7-yl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 164877886
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
CID 167366018
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
N-[4-(difluoromethoxy)phenyl]-3,4-difluorobenzenesulfonamide
CID 8504738
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide (CID 146091956) is 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cn[nH]c2)c1)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is RHZCMIXIHYBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-14-7-13(4-5-15(14)25-16(18)19)26(23,24)22-12-3-1-2-10(6-12)11-8-20-21-9-11/h1-9,16,22H,(H,20,21).
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide?
4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 383.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-[3-(1H-pyrazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 146091956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).