N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide

C16H12BrF2N3O2S — CID 22205311

IUPACN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(Br)cc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H12BrF2N3O2S/c17-12-3-1-11(2-4-12)9-22-10-14(8-20-22)21-25(23,24)16-6-5-13(18)7-15(16)19/h1-8,10,21H,9H2
InChIKeyYBRZJHUIBXMEQC-UHFFFAOYSA-N
MW428.26 g/mol
LogP3.77
Rot. Bonds5

About N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 22205311) has the molecular formula C16H12BrF2N3O2S and a molecular weight of 428.26 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
PubChem CID22205311
Molecular FormulaC16H12BrF2N3O2S
Molecular Weight428.26 g/mol
Exact Mass426.98
IUPAC NameN-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(Br)cc2)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H12BrF2N3O2S/c17-12-3-1-11(2-4-12)9-22-10-14(8-20-22)21-25(23,24)16-6-5-13(18)7-15(16)19/h1-8,10,21H,9H2
InChIKeyYBRZJHUIBXMEQC-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
CID 46229201
N-(2-Bromo-4-methylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022084
N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]ethanesulfonamide
CID 19582329
3-(4-Bromophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carbothioamide
CID 52916761
N-[(1-benzyltriazol-4-yl)methyl]-2-bromo-N-ethyl-4-fluorobenzenesulfonamide
CID 60158198
N-[(1-benzyltriazol-4-yl)methyl]-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 60158201
4-fluoro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4572738
N-[(1-benzyltriazol-4-yl)methyl]-2-bromobenzenesulfonamide
CID 60158591
1-[1-(4-bromobenzyl)-1H-pyrazol-4-yl]-3-(2,4-difluorophenyl)thiourea
CID 2211628
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 56805890
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 56805891
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4182842

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide (CID 22205311) is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(Br)cc2)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is YBRZJHUIBXMEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3O2S/c17-12-3-1-11(2-4-12)9-22-10-14(8-20-22)21-25(23,24)16-6-5-13(18)7-15(16)19/h1-8,10,21H,9H2.
What are the key properties of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide?
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 428.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22205311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).