1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide

C24H29N3O6S — CID 154630935

IUPAC1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
SMILESCCn1nc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1C1(O)COC1
InChIInChI=1S/C24H29N3O6S/c1-4-27-22(24(28)16-33-17-24)13-23(25-27)34(29,30)26(14-18-5-9-20(31-2)10-6-18)15-19-7-11-21(32-3)12-8-19/h5-13,28H,4,14-17H2,1-3H3
InChIKeyPXZCBITUTMSIJE-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.53
Rot. Bonds10

About 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide

1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide (PubChem CID 154630935) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
PubChem CID154630935
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
SMILESCCn1nc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1C1(O)COC1
InChIInChI=1S/C24H29N3O6S/c1-4-27-22(24(28)16-33-17-24)13-23(25-27)34(29,30)26(14-18-5-9-20(31-2)10-6-18)15-19-7-11-21(32-3)12-8-19/h5-13,28H,4,14-17H2,1-3H3
InChIKeyPXZCBITUTMSIJE-UHFFFAOYSA-N
XLogP2.53
TPSA103.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-tert-butyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 154630922
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]pyrazole-3-sulfonamide;1-ethyl-5-formyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 161318080
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
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
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
5-[1-(azetidin-1-yl)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-(1-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide
CID 158305964
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
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide (CID 154630935) is 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide is CCn1nc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1C1(O)COC1.
What is the InChIKey of 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
The InChIKey is PXZCBITUTMSIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-4-27-22(24(28)16-33-17-24)13-23(25-27)34(29,30)26(14-18-5-9-20(31-2)10-6-18)15-19-7-11-21(32-3)12-8-19/h5-13,28H,4,14-17H2,1-3H3.
What are the key properties of 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide has a molecular weight of 487.58 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-hydroxyoxetan-3-yl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 154630935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).