N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide

C15H13N3O4S — CID 5103403

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O4S/c1-22-10-6-8-11(9-7-10)23(20,21)18-17-14-12-4-2-3-5-13(12)16-15(14)19/h2-9,16,19H,1H3/b18-17+
InChIKeyFFADRNSNSAWWMA-ISLYRVAYSA-N
MW331.35 g/mol
LogP3.35
Rot. Bonds4

About N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide (PubChem CID 5103403) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide
PubChem CID5103403
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H13N3O4S/c1-22-10-6-8-11(9-7-10)23(20,21)18-17-14-12-4-2-3-5-13(12)16-15(14)19/h2-9,16,19H,1H3/b18-17+
InChIKeyFFADRNSNSAWWMA-ISLYRVAYSA-N
XLogP3.35
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

CID 947057
CID 947057
CID 135405216
CID 135405216
CID 135409809
CID 135409809
CID 135434964
CID 135434964
CID 135434967
CID 135434967
CID 135434969
CID 135434969
CID 135434970
CID 135434970
CID 135434971
CID 135434971
CID 135434972
CID 135434972
CID 135434975
CID 135434975
CID 135434977
CID 135434977
CID 135434978
CID 135434978

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide (CID 5103403) is N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide?
The InChIKey is FFADRNSNSAWWMA-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-22-10-6-8-11(9-7-10)23(20,21)18-17-14-12-4-2-3-5-13(12)16-15(14)19/h2-9,16,19H,1H3/b18-17+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide has a molecular weight of 331.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 5103403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).