N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide

C16H15N3O2S — CID 135519930

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-6-8-14(9-7-12)22(20,21)19-18-11-13-10-17-16-5-3-2-4-15(13)16/h2-11,17,19H,1H3/b18-11+
InChIKeyYZJIWNOEFKHQBI-WOJGMQOQSA-N
MW313.38 g/mol
LogP2.79
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide

N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135519930) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide
PubChem CID135519930
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-6-8-14(9-7-12)22(20,21)19-18-11-13-10-17-16-5-3-2-4-15(13)16/h2-11,17,19H,1H3/b18-11+
InChIKeyYZJIWNOEFKHQBI-WOJGMQOQSA-N
XLogP2.79
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide (CID 135519930) is N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is YZJIWNOEFKHQBI-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-6-8-14(9-7-12)22(20,21)19-18-11-13-10-17-16-5-3-2-4-15(13)16/h2-11,17,19H,1H3/b18-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135519930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).