N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide

C15H15Cl2N5O2S — CID 22206959

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cn1
InChIInChI=1S/C15H15Cl2N5O2S/c1-2-21-10-12(8-18-21)25(23,24)20-15-5-6-22(19-15)9-11-3-4-13(16)14(17)7-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyVZPVCXZRJOINHM-UHFFFAOYSA-N
MW400.29 g/mol
LogP3.26
Rot. Bonds6

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 22206959) has the molecular formula C15H15Cl2N5O2S and a molecular weight of 400.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
PubChem CID22206959
Molecular FormulaC15H15Cl2N5O2S
Molecular Weight400.29 g/mol
Exact Mass399.03
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cn1
InChIInChI=1S/C15H15Cl2N5O2S/c1-2-21-10-12(8-18-21)25(23,24)20-15-5-6-22(19-15)9-11-3-4-13(16)14(17)7-11/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyVZPVCXZRJOINHM-UHFFFAOYSA-N
XLogP3.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22206862
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22206944
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-4-sulfonamide
CID 17022537
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
CID 19398838
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053
N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 167927169
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide (CID 22206959) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cn1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is VZPVCXZRJOINHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O2S/c1-2-21-10-12(8-18-21)25(23,24)20-15-5-6-22(19-15)9-11-3-4-13(16)14(17)7-11/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 400.29 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22206959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).