N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide

C10H16ClN3O3S2 — CID 3713831

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide
SMILESCCN(C(=O)CSC)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3O3S2/c1-5-14(8(15)6-18-4)19(16,17)9-7(2)12-13(3)10(9)11/h5-6H2,1-4H3
InChIKeyYDXRILLSOIZWEY-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.28
Rot. Bonds5

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide (PubChem CID 3713831) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide
PubChem CID3713831
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide
SMILESCCN(C(=O)CSC)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C10H16ClN3O3S2/c1-5-14(8(15)6-18-4)19(16,17)9-7(2)12-13(3)10(9)11/h5-6H2,1-4H3
InChIKeyYDXRILLSOIZWEY-UHFFFAOYSA-N
XLogP1.28
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.28
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-3,3-diphenylpropanamide
CID 3832664
2-butoxy-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylacetamide
CID 3856769
S-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-ethylamino]-2-methyl-3-oxopropyl] ethanethioate
CID 3558603
5-chloro-N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethylthiophene-2-carboxamide
CID 3549268
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-oxobutanamide
CID 3804347
5-chloro-1,3-dimethylpyrazole-4-sulfonic acid;hydrochloride
CID 174268222
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 3518610
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 94192668
iodo 5-chloro-1,3-dimethylpyrazole-4-sulfonate
CID 143700914
N'-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N,N-dimethylmethanimidamide
CID 2777153
ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 74228946

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide (CID 3713831) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide is CCN(C(=O)CSC)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide?
The InChIKey is YDXRILLSOIZWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S2/c1-5-14(8(15)6-18-4)19(16,17)9-7(2)12-13(3)10(9)11/h5-6H2,1-4H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide has a molecular weight of 325.84 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-ethyl-2-methylsulfanylacetamide is sourced from PubChem (CID 3713831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).