N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C13H15Cl2N3O2S — CID 43401755

IUPACN-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-8-13(9(2)17-16-8)21(19,20)18(3)7-10-4-5-11(14)6-12(10)15/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyJPECKBVLTFPWAA-UHFFFAOYSA-N
MW348.26 g/mol
LogP3.15
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43401755) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43401755
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O2S/c1-8-13(9(2)17-16-8)21(19,20)18(3)7-10-4-5-11(14)6-12(10)15/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyJPECKBVLTFPWAA-UHFFFAOYSA-N
XLogP3.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335734
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102691846
N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43398042
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 60700177
N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 43402461
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
N-[(2,4-dichlorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61383905
N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 29089957
2,4,6-trichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64512691

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 43401755) is N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JPECKBVLTFPWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-8-13(9(2)17-16-8)21(19,20)18(3)7-10-4-5-11(14)6-12(10)15/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 348.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43401755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).