N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide

C23H29N3O5S — CID 171783920

IUPACN,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C[C@@H](C)OC)n2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18(29-2)15-25-14-13-23(24-25)32(27,28)26(16-19-5-9-21(30-3)10-6-19)17-20-7-11-22(31-4)12-8-20/h5-14,18H,15-17H2,1-4H3/t18-/m1/s1
InChIKeyJVOPWFOCFSUZNE-GOSISDBHSA-N
MW459.57 g/mol
LogP3.33
Rot. Bonds11

About N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide

N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide (PubChem CID 171783920) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
PubChem CID171783920
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C[C@@H](C)OC)n2)cc1
InChIInChI=1S/C23H29N3O5S/c1-18(29-2)15-25-14-13-23(24-25)32(27,28)26(16-19-5-9-21(30-3)10-6-19)17-20-7-11-22(31-4)12-8-20/h5-14,18H,15-17H2,1-4H3/t18-/m1/s1
InChIKeyJVOPWFOCFSUZNE-GOSISDBHSA-N
XLogP3.33
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783889
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
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 146797793
N,N-bis[(4-methoxyphenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
CID 155622551
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide (CID 171783920) is N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(C[C@@H](C)OC)n2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
The InChIKey is JVOPWFOCFSUZNE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-18(29-2)15-25-14-13-23(24-25)32(27,28)26(16-19-5-9-21(30-3)10-6-19)17-20-7-11-22(31-4)12-8-20/h5-14,18H,15-17H2,1-4H3/t18-/m1/s1.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide?
N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide has a molecular weight of 459.57 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 171783920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).