4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide

C14H15Cl2N3O3S — CID 19932171

IUPAC4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H15Cl2N3O3S/c1-3-18(4-2)14(20)19-9-12(16)13(17-19)23(21,22)11-7-5-6-10(15)8-11/h5-9H,3-4H2,1-2H3
InChIKeyDLEZMNWQOFJKFD-UHFFFAOYSA-N
MW376.27 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide

4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide (PubChem CID 19932171) has the molecular formula C14H15Cl2N3O3S and a molecular weight of 376.27 g/mol. Its IUPAC name is 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
PubChem CID19932171
Molecular FormulaC14H15Cl2N3O3S
Molecular Weight376.27 g/mol
Exact Mass375.02
IUPAC Name4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H15Cl2N3O3S/c1-3-18(4-2)14(20)19-9-12(16)13(17-19)23(21,22)11-7-5-6-10(15)8-11/h5-9H,3-4H2,1-2H3
InChIKeyDLEZMNWQOFJKFD-UHFFFAOYSA-N
XLogP3.33
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-chlorophenyl)-3-(3,5-dichlorophenyl)sulfonyl-N-propan-2-ylpyrazole-1-carboxamide
CID 19932091
4-chloro-3-(2,3-difluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931848
4-bromo-3-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19931935
4-chloro-N-ethyl-N-propyl-3-(2,4,6-trimethylphenyl)sulfonylpyrazole-1-carboxamide
CID 19931968
4-bromo-3-(4-chloro-2-methylphenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide
CID 19932291
3-(2-chloro-6-methylphenyl)sulfonyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19932214
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-1-carboxamide
CID 19932074
5-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520724
3-(2-chloro-6-fluorophenyl)sulfanyl-N,N-diethyl-4-fluoropyrazole-1-carboxamide
CID 19932210
2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
3-(2,5-dichlorophenyl)sulfanyl-N,N-diethylpyrazole-1-carboxamide
CID 19931871
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide (CID 19932171) is 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(Cl)c(S(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
The InChIKey is DLEZMNWQOFJKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O3S/c1-3-18(4-2)14(20)19-9-12(16)13(17-19)23(21,22)11-7-5-6-10(15)8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide?
4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide has a molecular weight of 376.27 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-chlorophenyl)sulfonyl-N,N-diethylpyrazole-1-carboxamide is sourced from PubChem (CID 19932171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).