2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol

C21H19NO4S — CID 151738270

IUPAC2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol
SMILESCOC1=CC=CC(c2cc3cc(O)ccc3[nH]2)(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H19NO4S/c1-26-17-6-5-11-21(14-17,27(24,25)18-7-3-2-4-8-18)20-13-15-12-16(23)9-10-19(15)22-20/h2-13,22-23H,14H2,1H3
InChIKeyRLZFQCCOAZRUII-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.03
Rot. Bonds4

About 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol

2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol (PubChem CID 151738270) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol
PubChem CID151738270
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol
SMILESCOC1=CC=CC(c2cc3cc(O)ccc3[nH]2)(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H19NO4S/c1-26-17-6-5-11-21(14-17,27(24,25)18-7-3-2-4-8-18)20-13-15-12-16(23)9-10-19(15)22-20/h2-13,22-23H,14H2,1H3
InChIKeyRLZFQCCOAZRUII-UHFFFAOYSA-N
XLogP4.03
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol?
The IUPAC name of 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol (CID 151738270) is 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol?
The canonical SMILES for 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol is COC1=CC=CC(c2cc3cc(O)ccc3[nH]2)(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol?
The InChIKey is RLZFQCCOAZRUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-26-17-6-5-11-21(14-17,27(24,25)18-7-3-2-4-8-18)20-13-15-12-16(23)9-10-19(15)22-20/h2-13,22-23H,14H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol?
2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol has a molecular weight of 381.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-5-methoxycyclohexa-2,4-dien-1-yl]-1H-indol-5-ol is sourced from PubChem (CID 151738270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).