N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide

C21H19N5O2S — CID 3268184

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)n1
InChIInChI=1S/C21H19N5O2S/c1-14-11-15(2)25-21(24-14)26-29(27,28)18-9-7-17(8-10-18)22-12-16-13-23-20-6-4-3-5-19(16)20/h3-13,23H,1-2H3,(H,24,25,26)/b22-12+
InChIKeyUPZWWUFCNQRMOY-WSDLNYQXSA-N
MW405.48 g/mol
LogP4.13
Rot. Bonds5

About N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide (PubChem CID 3268184) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide
PubChem CID3268184
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)n1
InChIInChI=1S/C21H19N5O2S/c1-14-11-15(2)25-21(24-14)26-29(27,28)18-9-7-17(8-10-18)22-12-16-13-23-20-6-4-3-5-19(16)20/h3-13,23H,1-2H3,(H,24,25,26)/b22-12+
InChIKeyUPZWWUFCNQRMOY-WSDLNYQXSA-N
XLogP4.13
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide (CID 3268184) is N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide?
The InChIKey is UPZWWUFCNQRMOY-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-11-15(2)25-21(24-14)26-29(27,28)18-9-7-17(8-10-18)22-12-16-13-23-20-6-4-3-5-19(16)20/h3-13,23H,1-2H3,(H,24,25,26)/b22-12+.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-(1H-indol-3-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 3268184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).