methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate

C10H16ClN3O4S — CID 114172524

IUPACmethyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate
SMILESCOC(=O)C(NS(=O)(=O)c1c(Cl)cnn1C)C(C)C
InChIInChI=1S/C10H16ClN3O4S/c1-6(2)8(10(15)18-4)13-19(16,17)9-7(11)5-12-14(9)3/h5-6,8,13H,1-4H3
InChIKeyYUFWNSPHAZIEEY-UHFFFAOYSA-N
MW309.78 g/mol
LogP0.55
Rot. Bonds5

About methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate

methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate (PubChem CID 114172524) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate
PubChem CID114172524
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC Namemethyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate
SMILESCOC(=O)C(NS(=O)(=O)c1c(Cl)cnn1C)C(C)C
InChIInChI=1S/C10H16ClN3O4S/c1-6(2)8(10(15)18-4)13-19(16,17)9-7(11)5-12-14(9)3/h5-6,8,13H,1-4H3
InChIKeyYUFWNSPHAZIEEY-UHFFFAOYSA-N
XLogP0.55
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 106314161
Methyl 3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoate
CID 43624162
methyl (2S)-3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoate
CID 47066910
tert-butyl (2S)-3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoate
CID 80702848
tert-butyl (2R)-3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoate
CID 80998525
Methyl 3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 104710344
tert-butyl (2R)-3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 104710385
tert-butyl (2S)-3-methyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 104710386
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 106139007
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 106139008
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]pentanedioic acid
CID 106139010
2-[(4-Chloro-1-methylpyrazol-5-yl)sulfonylamino]acetic acid
CID 106139011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate (CID 114172524) is methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate is COC(=O)C(NS(=O)(=O)c1c(Cl)cnn1C)C(C)C.
What is the InChIKey of methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate?
The InChIKey is YUFWNSPHAZIEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S/c1-6(2)8(10(15)18-4)13-19(16,17)9-7(11)5-12-14(9)3/h5-6,8,13H,1-4H3.
What are the key properties of methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate?
methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate has a molecular weight of 309.78 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-3-methylbutanoate is sourced from PubChem (CID 114172524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).