N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide

C17H19N5O2S — CID 654586

IUPACN,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C17H19N5O2S/c1-14-12-16(8-9-17(14)22-13-18-19-20-22)25(23,24)21(2)11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCTRCBLPMVUNQOA-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.83
Rot. Bonds6

About N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide

N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 654586) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID654586
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C17H19N5O2S/c1-14-12-16(8-9-17(14)22-13-18-19-20-22)25(23,24)21(2)11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCTRCBLPMVUNQOA-UHFFFAOYSA-N
XLogP1.83
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,3-dimethyl-N-(2-phenylethyl)-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,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide (CID 654586) is N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCc2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is CTRCBLPMVUNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-14-12-16(8-9-17(14)22-13-18-19-20-22)25(23,24)21(2)11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide?
N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 654586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).