methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate

C14H16ClN3O4S — CID 42555751

IUPACmethyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C14H16ClN3O4S/c1-4-18-13(14(19)22-3)12(9(2)16-18)17-23(20,21)11-7-5-10(15)6-8-11/h5-8,17H,4H2,1-3H3
InChIKeyGDOWTWFTOMAPEO-UHFFFAOYSA-N
MW357.82 g/mol
LogP2.45
Rot. Bonds5

About methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate

methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 42555751) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID42555751
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC Namemethyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C14H16ClN3O4S/c1-4-18-13(14(19)22-3)12(9(2)16-18)17-23(20,21)11-7-5-10(15)6-8-11/h5-8,17H,4H2,1-3H3
InChIKeyGDOWTWFTOMAPEO-UHFFFAOYSA-N
XLogP2.45
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
(4-chlorophenyl) 4-bromo-1-ethyl-3-methylpyrazole-5-carboxylate
CID 2744347
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201953
methyl 4-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-1-ethyl-3-methylpyrazole-5-carboxylate
CID 75398669
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylate
CID 166330541
ethyl 1-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)sulfonylamino]imidazole-4-carboxylate
CID 11496184
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide
CID 56806878
methyl 1-ethyl-3-methyl-4-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]pyrazole-5-carboxylate
CID 75450669
4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434406
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate (CID 42555751) is methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)OC.
What is the InChIKey of methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is GDOWTWFTOMAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-4-18-13(14(19)22-3)12(9(2)16-18)17-23(20,21)11-7-5-10(15)6-8-11/h5-8,17H,4H2,1-3H3.
What are the key properties of methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate?
methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 357.82 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-chlorophenyl)sulfonylamino]-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 42555751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).