1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide

C20H21Cl2N3O2S — CID 56581950

IUPAC1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
SMILESCc1cc(C)n(-c2ccc(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C20H21Cl2N3O2S/c1-14-11-15(2)25(24-14)18-6-3-16(4-7-18)9-10-23-28(26,27)13-17-5-8-19(21)20(22)12-17/h3-8,11-12,23H,9-10,13H2,1-2H3
InChIKeyIDDUJGHYMPPPLE-UHFFFAOYSA-N
MW438.38 g/mol
LogP4.46
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide (PubChem CID 56581950) has the molecular formula C20H21Cl2N3O2S and a molecular weight of 438.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
PubChem CID56581950
Molecular FormulaC20H21Cl2N3O2S
Molecular Weight438.38 g/mol
Exact Mass437.07
IUPAC Name1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
SMILESCc1cc(C)n(-c2ccc(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1
InChIInChI=1S/C20H21Cl2N3O2S/c1-14-11-15(2)25(24-14)18-6-3-16(4-7-18)9-10-23-28(26,27)13-17-5-8-19(21)20(22)12-17/h3-8,11-12,23H,9-10,13H2,1-2H3
InChIKeyIDDUJGHYMPPPLE-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide (CID 56581950) is 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide is Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide?
The InChIKey is IDDUJGHYMPPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2S/c1-14-11-15(2)25(24-14)18-6-3-16(4-7-18)9-10-23-28(26,27)13-17-5-8-19(21)20(22)12-17/h3-8,11-12,23H,9-10,13H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide has a molecular weight of 438.38 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 56581950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).