N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide

C17H15Cl2N3O2S — CID 171345412

IUPACN-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15Cl2N3O2S/c1-25(23,24)20-11-15-10-17(12-2-4-13(18)5-3-12)22(21-15)16-8-6-14(19)7-9-16/h2-10,20H,11H2,1H3
InChIKeyOMTNFBOZQIDGRW-UHFFFAOYSA-N
MW396.30 g/mol
LogP3.90
Rot. Bonds5

About N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide

N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide (PubChem CID 171345412) has the molecular formula C17H15Cl2N3O2S and a molecular weight of 396.30 g/mol. Its IUPAC name is N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide
PubChem CID171345412
Molecular FormulaC17H15Cl2N3O2S
Molecular Weight396.30 g/mol
Exact Mass395.03
IUPAC NameN-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H15Cl2N3O2S/c1-25(23,24)20-11-15-10-17(12-2-4-13(18)5-3-12)22(21-15)16-8-6-14(19)7-9-16/h2-10,20H,11H2,1H3
InChIKeyOMTNFBOZQIDGRW-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide (CID 171345412) is N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide?
The InChIKey is OMTNFBOZQIDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2S/c1-25(23,24)20-11-15-10-17(12-2-4-13(18)5-3-12)22(21-15)16-8-6-14(19)7-9-16/h2-10,20H,11H2,1H3.
What are the key properties of N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide?
N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide has a molecular weight of 396.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 171345412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).