N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide

C22H19N3O2S — CID 1379937

IUPACN-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19N3O2S/c1-16-10-12-18(13-11-16)28(26,27)25-22-9-5-4-8-21(22)24-15-17-14-23-20-7-3-2-6-19(17)20/h2-15,23,25H,1H3/b24-15+
InChIKeyBDCJLWCVMJOTKN-BUVRLJJBSA-N
MW389.48 g/mol
LogP5.03
Rot. Bonds5

About N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide

N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide (PubChem CID 1379937) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
PubChem CID1379937
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19N3O2S/c1-16-10-12-18(13-11-16)28(26,27)25-22-9-5-4-8-21(22)24-15-17-14-23-20-7-3-2-6-19(17)20/h2-15,23,25H,1H3/b24-15+
InChIKeyBDCJLWCVMJOTKN-BUVRLJJBSA-N
XLogP5.03
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
CID 2840139
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
CID 136873762
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 136664551
N-(2,4-dimethylphenyl)-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 135679409
N-(2,4-dimethylphenyl)-4-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 5075346
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873473
4-methyl-N-(9-oxo-10H-acridin-4-yl)benzenesulfonamide
CID 169372936
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
2-(1H-indol-3-ylmethylideneamino)benzonitrile
CID 686965

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide (CID 1379937) is N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is BDCJLWCVMJOTKN-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-16-10-12-18(13-11-16)28(26,27)25-22-9-5-4-8-21(22)24-15-17-14-23-20-7-3-2-6-19(17)20/h2-15,23,25H,1H3/b24-15+.
What are the key properties of N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide?
N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1379937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).