N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide

C16H12Cl2FN3O2S — CID 22204249

IUPACN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H12Cl2FN3O2S/c17-15-2-1-3-16(18)14(15)10-22-9-12(8-20-22)21-25(23,24)13-6-4-11(19)5-7-13/h1-9,21H,10H2
InChIKeyUMVAJNYWGJCPFY-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.18
Rot. Bonds5

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 22204249) has the molecular formula C16H12Cl2FN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
PubChem CID22204249
Molecular FormulaC16H12Cl2FN3O2S
Molecular Weight400.26 g/mol
Exact Mass399.00
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H12Cl2FN3O2S/c17-15-2-1-3-16(18)14(15)10-22-9-12(8-20-22)21-25(23,24)13-6-4-11(19)5-7-13/h1-9,21H,10H2
InChIKeyUMVAJNYWGJCPFY-UHFFFAOYSA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
CID 71991616
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206812
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22202053
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22207089
1-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19403308
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide (CID 22204249) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is UMVAJNYWGJCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O2S/c17-15-2-1-3-16(18)14(15)10-22-9-12(8-20-22)21-25(23,24)13-6-4-11(19)5-7-13/h1-9,21H,10H2.
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide?
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 400.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22204249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).