[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate

C24H20ClN3O3S — CID 156903033

IUPAC[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate
SMILESCn1cc(C(c2ccccc2OS(N)(=O)=O)c2c[nH]c3ccccc23)c2ccc(Cl)cc21
InChIInChI=1S/C24H20ClN3O3S/c1-28-14-20(17-11-10-15(25)12-22(17)28)24(19-13-27-21-8-4-2-6-16(19)21)18-7-3-5-9-23(18)31-32(26,29)30/h2-14,24,27H,1H3,(H2,26,29,30)
InChIKeyUJANBSZCSPBERG-UHFFFAOYSA-N
MW465.96 g/mol
LogP5.08
Rot. Bonds5

About [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate

[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate (PubChem CID 156903033) has the molecular formula C24H20ClN3O3S and a molecular weight of 465.96 g/mol. Its IUPAC name is [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate.

Molecular Properties

Compound Name[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate
PubChem CID156903033
Molecular FormulaC24H20ClN3O3S
Molecular Weight465.96 g/mol
Exact Mass465.09
IUPAC Name[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate
SMILESCn1cc(C(c2ccccc2OS(N)(=O)=O)c2c[nH]c3ccccc23)c2ccc(Cl)cc21
InChIInChI=1S/C24H20ClN3O3S/c1-28-14-20(17-11-10-15(25)12-22(17)28)24(19-13-27-21-8-4-2-6-16(19)21)18-7-3-5-9-23(18)31-32(26,29)30/h2-14,24,27H,1H3,(H2,26,29,30)
InChIKeyUJANBSZCSPBERG-UHFFFAOYSA-N
XLogP5.08
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[bis(1H-indol-3-yl)methyl]phenyl] sulfamate
CID 156903035
[2-[(5-cyano-1H-indol-3-yl)-(1-methylindol-3-yl)methyl]phenyl] sulfamate
CID 172726165
2-[bis(1-methylindol-3-yl)methyl]-4-chlorophenol
CID 54754000
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole
CID 171608072
2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
1-(4-chlorophenyl)-2,2-bis(1H-indol-3-yl)ethanone
CID 18807557
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate?
The IUPAC name of [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate (CID 156903033) is [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate.
What is the SMILES notation for [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate?
The canonical SMILES for [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate is Cn1cc(C(c2ccccc2OS(N)(=O)=O)c2c[nH]c3ccccc23)c2ccc(Cl)cc21.
What is the InChIKey of [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate?
The InChIKey is UJANBSZCSPBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S/c1-28-14-20(17-11-10-15(25)12-22(17)28)24(19-13-27-21-8-4-2-6-16(19)21)18-7-3-5-9-23(18)31-32(26,29)30/h2-14,24,27H,1H3,(H2,26,29,30).
What are the key properties of [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate?
[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate has a molecular weight of 465.96 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate is sourced from PubChem (CID 156903033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).