4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

C17H19N5O3S — CID 22579954

IUPAC4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)cc2)cc1C
InChIInChI=1S/C17H19N5O3S/c1-12-4-6-14(7-5-12)22-17(19-20-21-22)11-18-26(23,24)15-8-9-16(25-3)13(2)10-15/h4-10,18H,11H2,1-3H3
InChIKeyTYWSUOZMGGWRDC-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.77
Rot. Bonds6

About 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide

4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 22579954) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID22579954
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)cc2)cc1C
InChIInChI=1S/C17H19N5O3S/c1-12-4-6-14(7-5-12)22-17(19-20-21-22)11-18-26(23,24)15-8-9-16(25-3)13(2)10-15/h4-10,18H,11H2,1-3H3
InChIKeyTYWSUOZMGGWRDC-UHFFFAOYSA-N
XLogP1.77
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-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-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
CID 41350032
3-chloro-N-[(1-phenyltetrazol-5-yl)methyl]benzenesulfonamide
CID 18565850
4-methoxy-3-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzenesulfonamide
CID 122276037
4-methoxy-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 2198100
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-methoxy-3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 86839315
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
CID 18565616
N-(2,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 112996411

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 22579954) is 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2nnnn2-c2ccc(C)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is TYWSUOZMGGWRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12-4-6-14(7-5-12)22-17(19-20-21-22)11-18-26(23,24)15-8-9-16(25-3)13(2)10-15/h4-10,18H,11H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 22579954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).