3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide

C20H21Cl2N3O2S — CID 39795407

IUPAC3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2S/c1-14-19(13-24(3)28(26,27)18-9-6-8-17(21)11-18)15(2)25(23-14)12-16-7-4-5-10-20(16)22/h4-11H,12-13H2,1-3H3
InChIKeyGDBGIARPZHZDFH-UHFFFAOYSA-N
MW438.38 g/mol
LogP4.68
Rot. Bonds6

About 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide

3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide (PubChem CID 39795407) has the molecular formula C20H21Cl2N3O2S and a molecular weight of 438.38 g/mol. Its IUPAC name is 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide
PubChem CID39795407
Molecular FormulaC20H21Cl2N3O2S
Molecular Weight438.38 g/mol
Exact Mass437.07
IUPAC Name3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2S/c1-14-19(13-24(3)28(26,27)18-9-6-8-17(21)11-18)15(2)25(23-14)12-16-7-4-5-10-20(16)22/h4-11H,12-13H2,1-3H3
InChIKeyGDBGIARPZHZDFH-UHFFFAOYSA-N
XLogP4.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
3-[2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]ethylsulfonyl]propanamide
CID 39973496
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 120847482
N-[(5-amino-2-chlorophenyl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 43550905
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-ethylsulfonylethanamine
CID 119112522
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 30212377
N-[2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 49463724
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254
4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 18192071
3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79225656
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 31325968

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide (CID 39795407) is 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide is Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is GDBGIARPZHZDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2S/c1-14-19(13-24(3)28(26,27)18-9-6-8-17(21)11-18)15(2)25(23-14)12-16-7-4-5-10-20(16)22/h4-11H,12-13H2,1-3H3.
What are the key properties of 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide?
3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 438.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 39795407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).