[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate

C23H19N3O3S — CID 156903035

IUPAC[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O3S/c24-30(27,28)29-22-12-6-3-9-17(22)23(18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,23,25-26H,(H2,24,27,28)
InChIKeySMFZIQORYDMFTC-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.41
Rot. Bonds5

About [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate

[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate (PubChem CID 156903035) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate.

Molecular Properties

Compound Name[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate
PubChem CID156903035
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate
SMILESNS(=O)(=O)Oc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O3S/c24-30(27,28)29-22-12-6-3-9-17(22)23(18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,23,25-26H,(H2,24,27,28)
InChIKeySMFZIQORYDMFTC-UHFFFAOYSA-N
XLogP4.41
TPSA100.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate
CID 156903033
[2-[(5-cyano-1H-indol-3-yl)-(1-methylindol-3-yl)methyl]phenyl] sulfamate
CID 172726165
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
1-[bis(1H-indol-3-yl)methyl]-2H-isoindole
CID 155935017
3-[(2-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 162689484
potassium;hydride;1H-indol-3-ol;sulfuric acid
CID 173008142
naphthalen-1-yl sulfamate
CID 25056076
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate?
The IUPAC name of [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate (CID 156903035) is [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate.
What is the SMILES notation for [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate?
The canonical SMILES for [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate is NS(=O)(=O)Oc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate?
The InChIKey is SMFZIQORYDMFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c24-30(27,28)29-22-12-6-3-9-17(22)23(18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,23,25-26H,(H2,24,27,28).
What are the key properties of [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate?
[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate has a molecular weight of 417.49 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate is sourced from PubChem (CID 156903035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).