N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C24H26N6O2S — CID 650476

IUPACN-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C24H26N6O2S/c1-19-15-23(13-14-24(19)30-18-25-26-27-30)33(31,32)29(16-20-7-5-4-6-8-20)17-21-9-11-22(12-10-21)28(2)3/h4-15,18H,16-17H2,1-3H3
InChIKeyLFVIFKMKNZYEQM-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.43
Rot. Bonds8

About N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 650476) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID650476
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC NameN-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)ccc1-n1cnnn1
InChIInChI=1S/C24H26N6O2S/c1-19-15-23(13-14-24(19)30-18-25-26-27-30)33(31,32)29(16-20-7-5-4-6-8-20)17-21-9-11-22(12-10-21)28(2)3/h4-15,18H,16-17H2,1-3H3
InChIKeyLFVIFKMKNZYEQM-UHFFFAOYSA-N
XLogP3.43
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 650476) is N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)ccc1-n1cnnn1.
What is the InChIKey of N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is LFVIFKMKNZYEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-19-15-23(13-14-24(19)30-18-25-26-27-30)33(31,32)29(16-20-7-5-4-6-8-20)17-21-9-11-22(12-10-21)28(2)3/h4-15,18H,16-17H2,1-3H3.
What are the key properties of N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 462.58 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[4-(dimethylamino)phenyl]methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 650476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).