N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide

C18H17N3O5S — CID 135722923

IUPACN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)/N=N/c2c(O)[nH]c3cc4c(cc23)OCCO4)c1
InChIInChI=1S/C18H17N3O5S/c1-10-3-4-11(2)16(7-10)27(23,24)21-20-17-12-8-14-15(26-6-5-25-14)9-13(12)19-18(17)22/h3-4,7-9,19,22H,5-6H2,1-2H3/b21-20+
InChIKeyYQPAVKRBKYREAG-QZQOTICOSA-N
MW387.42 g/mol
LogP3.73
Rot. Bonds3

About N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide

N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide (PubChem CID 135722923) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide
PubChem CID135722923
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)/N=N/c2c(O)[nH]c3cc4c(cc23)OCCO4)c1
InChIInChI=1S/C18H17N3O5S/c1-10-3-4-11(2)16(7-10)27(23,24)21-20-17-12-8-14-15(26-6-5-25-14)9-13(12)19-18(17)22/h3-4,7-9,19,22H,5-6H2,1-2H3/b21-20+
InChIKeyYQPAVKRBKYREAG-QZQOTICOSA-N
XLogP3.73
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]thiourea
CID 135730840
N-[(2-hydroxy-1H-indol-3-yl)imino]-2,4-dimethylbenzenesulfonamide
CID 870099
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 135710574
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
CID 135771128
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
CID 135710506
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2,4,6-trimethylbenzenesulfonamide
CID 135758839
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 135674756
4-ethoxy-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzenesulfonamide
CID 135775393
9-[(3-methoxyphenyl)diazenyl]-2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-f]indol-8-ol
CID 136666218
CID 135981069
CID 135981069
1-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3-(2-methoxyphenyl)thiourea
CID 135731272

Frequently Asked Questions

What is the IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide (CID 135722923) is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)/N=N/c2c(O)[nH]c3cc4c(cc23)OCCO4)c1.
What is the InChIKey of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is YQPAVKRBKYREAG-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-10-3-4-11(2)16(7-10)27(23,24)21-20-17-12-8-14-15(26-6-5-25-14)9-13(12)19-18(17)22/h3-4,7-9,19,22H,5-6H2,1-2H3/b21-20+.
What are the key properties of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide?
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 135722923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).