(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide

C16H14N2O2S — CID 136873762

IUPAC(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C\c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-6-8-14(9-7-12)21(19,20)18-11-13-10-17-16-5-3-2-4-15(13)16/h2-11,17H,1H3/b18-11-
InChIKeyKYLBCEXRGRXJAX-WQRHYEAKSA-N
MW298.37 g/mol
LogP3.28
Rot. Bonds3

About (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide

(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide (PubChem CID 136873762) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
PubChem CID136873762
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C\c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-6-8-14(9-7-12)21(19,20)18-11-13-10-17-16-5-3-2-4-15(13)16/h2-11,17H,1H3/b18-11-
InChIKeyKYLBCEXRGRXJAX-WQRHYEAKSA-N
XLogP3.28
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 136664551
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741
N-[(E)-1H-indol-3-ylmethylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 136873473
1H-indol-3-yl 4-methylbenzenesulfonate
CID 15090504
N-[(2,3-difluorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 71417577
1-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)thiourea
CID 135886399
1-(1H-indol-3-ylmethylideneamino)-3-(4-methylphenyl)thiourea
CID 910437
N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135647810
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
(NZ)-4-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]benzenesulfonamide
CID 110518890

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide (CID 136873762) is (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C\c2c[nH]c3ccccc23)cc1.
What is the InChIKey of (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide?
The InChIKey is KYLBCEXRGRXJAX-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-6-8-14(9-7-12)21(19,20)18-11-13-10-17-16-5-3-2-4-15(13)16/h2-11,17H,1H3/b18-11-.
What are the key properties of (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 136873762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).