N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

C16H12ClF2N3O2S — CID 23209769

IUPACN-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)F)c(Cl)c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12ClF2N3O2S/c17-13-14(16(18)19)20-22(15(13)11-7-3-1-4-8-11)21-25(23,24)12-9-5-2-6-10-12/h1-10,16,21H
InChIKeyKJKZIMZSIQKWRK-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.07
Rot. Bonds5

About N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide

N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 23209769) has the molecular formula C16H12ClF2N3O2S and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID23209769
Molecular FormulaC16H12ClF2N3O2S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC NameN-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)F)c(Cl)c1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12ClF2N3O2S/c17-13-14(16(18)19)20-22(15(13)11-7-3-1-4-8-11)21-25(23,24)12-9-5-2-6-10-12/h1-10,16,21H
InChIKeyKJKZIMZSIQKWRK-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209770
N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide
CID 23215779
N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580493
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[3-(hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 67662408
N-[5-(3-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580443
1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 67649580
N-[5-(4-chloro-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209661
N-[5-(3-chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209775
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209774
N-(benzimidazol-1-yl)benzenesulfonamide
CID 118414889

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 23209769) is N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)F)c(Cl)c1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is KJKZIMZSIQKWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O2S/c17-13-14(16(18)19)20-22(15(13)11-7-3-1-4-8-11)21-25(23,24)12-9-5-2-6-10-12/h1-10,16,21H.
What are the key properties of N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 383.81 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).