N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide

C17H15Cl2N3O2S — CID 69193005

IUPACN-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H15Cl2N3O2S/c1-25(23,24)22(12-13-4-2-5-16(18)17(13)19)15-8-6-14(7-9-15)21-11-3-10-20-21/h2-11H,12H2,1H3
InChIKeyCIFOIWXDMVCWMZ-UHFFFAOYSA-N
MW396.30 g/mol
LogP4.15
Rot. Bonds5

About N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide

N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide (PubChem CID 69193005) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
PubChem CID69193005
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H15Cl2N3O2S/c1-25(23,24)22(12-13-4-2-5-16(18)17(13)19)15-8-6-14(7-9-15)21-11-3-10-20-21/h2-11H,12H2,1H3
InChIKeyCIFOIWXDMVCWMZ-UHFFFAOYSA-N
XLogP4.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 16660952
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]pyrrolidine-1-carboxamide
CID 16662027
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(piperidin-4-ylmethyl)formamide
CID 87726710
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
N-(2-morpholin-4-yl-2-oxoethyl)-N-(4-pyrazol-1-ylphenyl)methanesulfonamide
CID 162634500
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-[N-formyl-2-(methylamino)anilino]ethyl]formamide
CID 87725909
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]formamide
CID 87726081
N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 163316015
N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69192060
N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 115743032
1-(3-chloro-4-ethylphenyl)pyrazole
CID 70883363
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide
CID 87726763

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide (CID 69193005) is N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide is CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide?
The InChIKey is CIFOIWXDMVCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-25(23,24)22(12-13-4-2-5-16(18)17(13)19)15-8-6-14(7-9-15)21-11-3-10-20-21/h2-11H,12H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide?
N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide has a molecular weight of 396.30 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-(4-pyrazol-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 69193005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).