2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide

C30H28F3N5O3S — CID 146472006

IUPAC2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(Cc4nn[nH]n4)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1
InChIInChI=1S/C30H28F3N5O3S/c1-19-13-20(2)29(21(3)14-19)42(39,40)38(18-26-11-12-27(41-26)30(31,32)33)17-22-7-9-24(10-8-22)25-6-4-5-23(15-25)16-28-34-36-37-35-28/h4-15H,16-18H2,1-3H3,(H,34,35,36,37)
InChIKeyANCAZFQTHHKKBE-UHFFFAOYSA-N
MW595.65 g/mol
LogP6.39
Rot. Bonds9

About 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide

2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide (PubChem CID 146472006) has the molecular formula C30H28F3N5O3S and a molecular weight of 595.65 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
PubChem CID146472006
Molecular FormulaC30H28F3N5O3S
Molecular Weight595.65 g/mol
Exact Mass595.19
IUPAC Name2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(Cc4nn[nH]n4)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1
InChIInChI=1S/C30H28F3N5O3S/c1-19-13-20(2)29(21(3)14-19)42(39,40)38(18-26-11-12-27(41-26)30(31,32)33)17-22-7-9-24(10-8-22)25-6-4-5-23(15-25)16-28-34-36-37-35-28/h4-15H,16-18H2,1-3H3,(H,34,35,36,37)
InChIKeyANCAZFQTHHKKBE-UHFFFAOYSA-N
XLogP6.39
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.65
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide 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-[[4-[3-(fluoromethyl)phenyl]phenyl]methyl]-2,4,6-trimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 142451022
N'-amino-2-[3-[4-[[[5-(trifluoromethyl)furan-2-yl]methyl-(2,4,6-trimethylphenyl)sulfanylamino]methyl]phenyl]phenyl]ethanimidamide
CID 142451053
2-methyl-N-[[4-[3-(2H-tetrazol-5-ylmethylsulfonyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]naphthalene-1-sulfonamide
CID 146498884
2,4,6-trimethyl-N-[[4-[3-(2-oxopropyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide
CID 161401954

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide (CID 146472006) is 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(-c3cccc(Cc4nn[nH]n4)c3)cc2)Cc2ccc(C(F)(F)F)o2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
The InChIKey is ANCAZFQTHHKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O3S/c1-19-13-20(2)29(21(3)14-19)42(39,40)38(18-26-11-12-27(41-26)30(31,32)33)17-22-7-9-24(10-8-22)25-6-4-5-23(15-25)16-28-34-36-37-35-28/h4-15H,16-18H2,1-3H3,(H,34,35,36,37).
What are the key properties of 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide?
2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide has a molecular weight of 595.65 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[4-[3-(2H-tetrazol-5-ylmethyl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 146472006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).