1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide

C22H27N3O5S — CID 146797793

IUPAC1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cnn(C[C@@H](C)O)c2)cc1
InChIInChI=1S/C22H27N3O5S/c1-17(26)13-24-16-22(12-23-24)31(27,28)25(14-18-4-8-20(29-2)9-5-18)15-19-6-10-21(30-3)11-7-19/h4-12,16-17,26H,13-15H2,1-3H3/t17-/m1/s1
InChIKeyRXFBZQMPLVGTMA-QGZVFWFLSA-N
MW445.54 g/mol
LogP2.67
Rot. Bonds10

About 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide

1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 146797793) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID146797793
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cnn(C[C@@H](C)O)c2)cc1
InChIInChI=1S/C22H27N3O5S/c1-17(26)13-24-16-22(12-23-24)31(27,28)25(14-18-4-8-20(29-2)9-5-18)15-19-6-10-21(30-3)11-7-19/h4-12,16-17,26H,13-15H2,1-3H3/t17-/m1/s1
InChIKeyRXFBZQMPLVGTMA-QGZVFWFLSA-N
XLogP2.67
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
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
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
CID 155068946
1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 86870369
4-hydroxy-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 125116690
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155622551
N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 142529385
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide (CID 146797793) is 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cnn(C[C@@H](C)O)c2)cc1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is RXFBZQMPLVGTMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-17(26)13-24-16-22(12-23-24)31(27,28)25(14-18-4-8-20(29-2)9-5-18)15-19-6-10-21(30-3)11-7-19/h4-12,16-17,26H,13-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 445.54 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 146797793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).