N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide

C20H15Cl2N3O2S — CID 995826

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15Cl2N3O2S/c21-17-7-5-16(20(22)10-17)12-25-13-18(11-23-25)24-28(26,27)19-8-6-14-3-1-2-4-15(14)9-19/h1-11,13,24H,12H2
InChIKeyXYBILMJGISFSRB-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.19
Rot. Bonds5

About N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide (PubChem CID 995826) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
PubChem CID995826
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H15Cl2N3O2S/c21-17-7-5-16(20(22)10-17)12-25-13-18(11-23-25)24-28(26,27)19-8-6-14-3-1-2-4-15(14)9-19/h1-11,13,24H,12H2
InChIKeyXYBILMJGISFSRB-UHFFFAOYSA-N
XLogP5.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 996044
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4182842
[(4-Chlorophenyl)sulfonyl]{1-[(4-fluorophenyl)methyl]pyrazol-4-yl}amine
CID 17376586
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4770491
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]naphthalene-2-sulfonamide
CID 4770493
4-chloro-N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4770751
4-chloro-N-[1-(2-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 4772796
N-[1-(2-chlorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 4772840
N-{1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-4-yl}naphthalene-2-sulfonamide
CID 4775868
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 5241661
4-chloro-N-[1-(3-fluorobenzyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 17022789
N-[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide (CID 995826) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
The InChIKey is XYBILMJGISFSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-17-7-5-16(20(22)10-17)12-25-13-18(11-23-25)24-28(26,27)19-8-6-14-3-1-2-4-15(14)9-19/h1-11,13,24H,12H2.
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide?
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide has a molecular weight of 432.33 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 995826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).