N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H11BrClF2N3O2S — CID 23209770

IUPACN-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)F)c(Br)c1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H11BrClF2N3O2S/c17-13-14(16(19)20)21-23(15(13)10-6-8-11(18)9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,16,22H
InChIKeyFRYLZXNCIPMYOK-UHFFFAOYSA-N
MW462.70 g/mol
LogP4.84
Rot. Bonds5

About N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209770) has the molecular formula C16H11BrClF2N3O2S and a molecular weight of 462.70 g/mol. Its IUPAC name is N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209770
Molecular FormulaC16H11BrClF2N3O2S
Molecular Weight462.70 g/mol
Exact Mass460.94
IUPAC NameN-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)F)c(Br)c1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H11BrClF2N3O2S/c17-13-14(16(19)20)21-23(15(13)10-6-8-11(18)9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,16,22H
InChIKeyFRYLZXNCIPMYOK-UHFFFAOYSA-N
XLogP4.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.70
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(difluoromethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 23209769
N-[3,5-bis(4-chlorophenyl)-4-(methanesulfonamido)pyrazol-1-yl]benzenesulfonamide
CID 23215779
N-[5-(3-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580443
N-[5-(4-chlorophenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 23209750
N-[3-(4-chlorophenyl)-5-(3-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580493
1-(benzenesulfonamido)-5-(4-chlorophenyl)-N-propan-2-ylpyrazole-3-sulfonamide
CID 67649580
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215722
N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580508
N-[5-(4-chlorophenyl)-3-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580098
4-[4-(2,4-dichlorophenyl)-3-(difluoromethyl)-1-phenylpyrazol-5-yl]benzenesulfonamide
CID 19041342
N-[4-(4-chlorophenyl)-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646351

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 23209770) is N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)F)c(Br)c1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FRYLZXNCIPMYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF2N3O2S/c17-13-14(16(19)20)21-23(15(13)10-6-8-11(18)9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,16,22H.
What are the key properties of N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 462.70 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-5-(4-chlorophenyl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).