methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate

C17H23N3O5S — CID 154799189

IUPACmethyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)n[nH]1
InChIInChI=1S/C17H23N3O5S/c1-5-6-11(2)14-10-16(19-18-14)20-26(22,23)12-7-8-15(24-3)13(9-12)17(21)25-4/h7-11H,5-6H2,1-4H3,(H2,18,19,20)
InChIKeyULPRWWWZTXSJBA-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.91
Rot. Bonds8

About methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate

methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate (PubChem CID 154799189) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
PubChem CID154799189
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Namemethyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)n[nH]1
InChIInChI=1S/C17H23N3O5S/c1-5-6-11(2)14-10-16(19-18-14)20-26(22,23)12-7-8-15(24-3)13(9-12)17(21)25-4/h7-11H,5-6H2,1-4H3,(H2,18,19,20)
InChIKeyULPRWWWZTXSJBA-UHFFFAOYSA-N
XLogP2.91
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
CID 71852019
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
CID 119989908
methyl 5-chlorosulfonyl-2-methoxybenzoate
CID 43436733
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
2-methylpentyl 2-methoxy-5-sulfamoylbenzoate
CID 103286167
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
2-methoxy-5-pentan-2-ylsulfonylbenzoic acid
CID 107890465
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
5-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 6471703
methyl 5-methylsulfonyl-2-propoxybenzoate
CID 23503135
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate (CID 154799189) is methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate is CCCC(C)c1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)n[nH]1.
What is the InChIKey of methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
The InChIKey is ULPRWWWZTXSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-5-6-11(2)14-10-16(19-18-14)20-26(22,23)12-7-8-15(24-3)13(9-12)17(21)25-4/h7-11H,5-6H2,1-4H3,(H2,18,19,20).
What are the key properties of methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate has a molecular weight of 381.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 154799189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).