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

C16H21N3O5S — CID 71852019

IUPACmethyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2ccc(O)c(C(=O)OC)c2)n[nH]1
InChIInChI=1S/C16H21N3O5S/c1-4-5-10(2)13-9-15(18-17-13)19-25(22,23)11-6-7-14(20)12(8-11)16(21)24-3/h6-10,20H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyYYCXEQAFGXLOSI-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.61
Rot. Bonds7

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

methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate (PubChem CID 71852019) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
PubChem CID71852019
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Namemethyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
SMILESCCCC(C)c1cc(NS(=O)(=O)c2ccc(O)c(C(=O)OC)c2)n[nH]1
InChIInChI=1S/C16H21N3O5S/c1-4-5-10(2)13-9-15(18-17-13)19-25(22,23)11-6-7-14(20)12(8-11)16(21)24-3/h6-10,20H,4-5H2,1-3H3,(H2,17,18,19)
InChIKeyYYCXEQAFGXLOSI-UHFFFAOYSA-N
XLogP2.61
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methoxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
CID 154799189
methyl 4-chloro-2-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate
CID 139006653
methyl 5-(hex-1-yn-3-ylsulfamoyl)-2-hydroxybenzoate
CID 106225511
N-[5-[(2R)-pentan-2-yl]-1H-pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 97097944
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
methyl 2-hydroxy-5-methoxysulfonylbenzoate
CID 131860467
methyl 2-hydroxy-5-[[3-(2-pyrazol-1-ylethoxy)phenyl]sulfamoyl]benzoate
CID 55900967
methyl 2-hydroxy-5-[[2-(3-hydroxypentyl)-4-(2-hydroxypropan-2-yl)phenyl]sulfamoyl]benzoate
CID 138518617
methyl 5-[3-(dimethylamino)propylsulfamoyl]-2-hydroxybenzoate
CID 61061961
2-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 55894761
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
2-[[4-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 55878671

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate (CID 71852019) is methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate is CCCC(C)c1cc(NS(=O)(=O)c2ccc(O)c(C(=O)OC)c2)n[nH]1.
What is the InChIKey of methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
The InChIKey is YYCXEQAFGXLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-4-5-10(2)13-9-15(18-17-13)19-25(22,23)11-6-7-14(20)12(8-11)16(21)24-3/h6-10,20H,4-5H2,1-3H3,(H2,17,18,19).
What are the key properties of methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate?
methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate has a molecular weight of 367.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-[(5-pentan-2-yl-1H-pyrazol-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 71852019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).