5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide

C12H13Cl2N3O3S2 — CID 3549268

IUPAC5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C12H13Cl2N3O3S2/c1-4-17(12(18)8-5-6-9(13)21-8)22(19,20)10-7(2)15-16(3)11(10)14/h5-6H,4H2,1-3H3
InChIKeyAJERLRNMFCFISG-UHFFFAOYSA-N
MW382.29 g/mol
LogP2.95
Rot. Bonds4

About 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide

5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide (PubChem CID 3549268) has the molecular formula C12H13Cl2N3O3S2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide
PubChem CID3549268
Molecular FormulaC12H13Cl2N3O3S2
Molecular Weight382.29 g/mol
Exact Mass380.98
IUPAC Name5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1ccc(Cl)s1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C12H13Cl2N3O3S2/c1-4-17(12(18)8-5-6-9(13)21-8)22(19,20)10-7(2)15-16(3)11(10)14/h5-6H,4H2,1-3H3
InChIKeyAJERLRNMFCFISG-UHFFFAOYSA-N
XLogP2.95
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide
CID 3713831
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-3,3-diphenylpropanamide
CID 3832664
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-oxobutanamide
CID 3804347
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 3518610
2-butoxy-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylacetamide
CID 3856769
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
S-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-ethylamino]-2-methyl-3-oxopropyl] ethanethioate
CID 3558603
1-(5-chlorothiophen-2-yl)-3-(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 102801743
5-chloro-1,3-dimethylpyrazole-4-sulfonic acid;hydrochloride
CID 174268222
3-[(5-chlorothiophene-2-carbonyl)-methylamino]butanoic acid
CID 110836897
(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802864
5-chloro-N,N-bis(prop-2-enyl)thiophene-2-carboxamide
CID 25237569

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide (CID 3549268) is 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1ccc(Cl)s1)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
The InChIKey is AJERLRNMFCFISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S2/c1-4-17(12(18)8-5-6-9(13)21-8)22(19,20)10-7(2)15-16(3)11(10)14/h5-6H,4H2,1-3H3.
What are the key properties of 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide has a molecular weight of 382.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 3549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).