sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide

C23H27N3NaO6S- — CID 165154248

IUPACsodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)[C-]=O)n2)cc1.[Na+].[OH-]
InChIInChI=1S/C23H26N3O5S.Na.H2O/c1-23(2,17-27)26-14-13-22(24-26)32(28,29)25(15-18-5-9-20(30-3)10-6-18)16-19-7-11-21(31-4)12-8-19;;/h5-14H,15-16H2,1-4H3;;1H2/q-1;+1;/p-1
InChIKeyUPNQWWHONUPVKW-UHFFFAOYSA-M
MW496.54 g/mol
LogP-0.04
Rot. Bonds10

About sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide

sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide (PubChem CID 165154248) has the molecular formula C23H27N3NaO6S- and a molecular weight of 496.54 g/mol. Its IUPAC name is sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide.

Molecular Properties

Compound Namesodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
PubChem CID165154248
Molecular FormulaC23H27N3NaO6S-
Molecular Weight496.54 g/mol
Exact Mass496.15
IUPAC Namesodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)[C-]=O)n2)cc1.[Na+].[OH-]
InChIInChI=1S/C23H26N3O5S.Na.H2O/c1-23(2,17-27)26-14-13-22(24-26)32(28,29)25(15-18-5-9-20(30-3)10-6-18)16-19-7-11-21(31-4)12-8-19;;/h5-14H,15-16H2,1-4H3;;1H2/q-1;+1;/p-1
InChIKeyUPNQWWHONUPVKW-UHFFFAOYSA-M
XLogP-0.04
TPSA120.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
1-(2-hydroxybutyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 155166174
1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 171783939
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide;1-ethyl-5-formyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 161318080
5-[2-(dimethylamino)propan-2-yl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-[2-(dimethylamino)propan-2-yl]-1-methylpyrazole-3-sulfonamide
CID 162013950
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide;1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 159654114
5-(4-hydroxyoxan-4-yl)-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide
CID 152500404
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]-2-methylimidazole-4-sulfonamide;1-ethyl-2-methylimidazole-4-sulfonamide
CID 160613423
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-tert-butyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 154630922

Frequently Asked Questions

What is the IUPAC name of sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide?
The IUPAC name of sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide (CID 165154248) is sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide.
What is the SMILES notation for sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide?
The canonical SMILES for sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C(C)(C)[C-]=O)n2)cc1.[Na+].[OH-].
What is the InChIKey of sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide?
The InChIKey is UPNQWWHONUPVKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H26N3O5S.Na.H2O/c1-23(2,17-27)26-14-13-22(24-26)32(28,29)25(15-18-5-9-20(30-3)10-6-18)16-19-7-11-21(31-4)12-8-19;;/h5-14H,15-16H2,1-4H3;;1H2/q-1;+1;/p-1.
What are the key properties of sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide?
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide has a molecular weight of 496.54 g/mol, XLogP of -0.04, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide is sourced from PubChem (CID 165154248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).