(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate

C24H27NO8S — CID 66574429

IUPAC(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)Oc2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C24H27NO8S/c1-29-21-9-5-17(23(13-21)31-3)15-25(16-18-6-10-22(30-2)14-24(18)32-4)34(27,28)33-20-11-7-19(26)8-12-20/h5-14,26H,15-16H2,1-4H3
InChIKeyLGGHJHREPCBKQO-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.75
Rot. Bonds11

About (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate

(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate (PubChem CID 66574429) has the molecular formula C24H27NO8S and a molecular weight of 489.55 g/mol. Its IUPAC name is (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate.

Molecular Properties

Compound Name(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
PubChem CID66574429
Molecular FormulaC24H27NO8S
Molecular Weight489.55 g/mol
Exact Mass489.15
IUPAC Name(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)Oc2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C24H27NO8S/c1-29-21-9-5-17(23(13-21)31-3)15-25(16-18-6-10-22(30-2)14-24(18)32-4)34(27,28)33-20-11-7-19(26)8-12-20/h5-14,26H,15-16H2,1-4H3
InChIKeyLGGHJHREPCBKQO-UHFFFAOYSA-N
XLogP3.75
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-nitrophenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574321
(4-bromophenyl) N-benzyl-N-[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66573570
N,N-bis[(2,4-dimethoxyphenyl)methyl]cyclopropanesulfonamide
CID 175393000
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
[3-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-6-fluoro-2-methylphenyl]boronic acid
CID 176706482
benzyl 2-[bis[(2,4-dimethoxyphenyl)methyl]sulfamoyl]-3,4,5,6-tetrafluorobenzoate
CID 155578355

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate?
The IUPAC name of (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate (CID 66574429) is (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate.
What is the SMILES notation for (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate?
The canonical SMILES for (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate is COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)Oc2ccc(O)cc2)c(OC)c1.
What is the InChIKey of (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate?
The InChIKey is LGGHJHREPCBKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO8S/c1-29-21-9-5-17(23(13-21)31-3)15-25(16-18-6-10-22(30-2)14-24(18)32-4)34(27,28)33-20-11-7-19(26)8-12-20/h5-14,26H,15-16H2,1-4H3.
What are the key properties of (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate?
(4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate has a molecular weight of 489.55 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate is sourced from PubChem (CID 66574429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).