N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide

C18H22N6O2S — CID 5298773

IUPACN-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1
InChIInChI=1S/C18H22N6O2S/c1-12-10-13(2)18(14(3)17(12)24-11-19-21-22-24)27(25,26)20-15-6-8-16(9-7-15)23(4)5/h6-11,20H,1-5H3
InChIKeyISGLFPCGUUVTSL-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.45
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide

N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 5298773) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID5298773
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1
InChIInChI=1S/C18H22N6O2S/c1-12-10-13(2)18(14(3)17(12)24-11-19-21-22-24)27(25,26)20-15-6-8-16(9-7-15)23(4)5/h6-11,20H,1-5H3
InChIKeyISGLFPCGUUVTSL-UHFFFAOYSA-N
XLogP2.45
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(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-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide (CID 5298773) is N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is ISGLFPCGUUVTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-12-10-13(2)18(14(3)17(12)24-11-19-21-22-24)27(25,26)20-15-6-8-16(9-7-15)23(4)5/h6-11,20H,1-5H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide?
N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,4,6-trimethyl-3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 5298773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).