N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide

C17H19N5O3S — CID 1316538

IUPACN-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C17H19N5O3S/c1-11-5-7-14(12(2)9-11)19-26(23,24)16-10-13(6-8-15(16)25-4)17-18-20-21-22(17)3/h5-10,19H,1-4H3
InChIKeyVSEPLFMSXIMCLO-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.30
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide

N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide (PubChem CID 1316538) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide
PubChem CID1316538
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC NameN-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C17H19N5O3S/c1-11-5-7-14(12(2)9-11)19-26(23,24)16-10-13(6-8-15(16)25-4)17-18-20-21-22(17)3/h5-10,19H,1-4H3
InChIKeyVSEPLFMSXIMCLO-UHFFFAOYSA-N
XLogP2.30
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 1204212
2-methoxy-N-(4-methoxyphenyl)-5-(1-methyl-1H-tetraazol-5-yl)benzenesulfonamide
CID 1204214
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1204217
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1236748
N-benzyl-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1547171
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 658808
methyl 4-({[5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenyl]sulfonyl}amino)benzoate
CID 1316509
2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 1345568
5-(1-ethyl-1H-tetraazol-5-yl)-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 1204213
ethyl 4-({[2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)phenyl]sulfonyl}amino)benzoate
CID 1204216
5-(1-ethyltetrazol-5-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 1911693

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide (CID 1316538) is N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide is COc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
The InChIKey is VSEPLFMSXIMCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-5-7-14(12(2)9-11)19-26(23,24)16-10-13(6-8-15(16)25-4)17-18-20-21-22(17)3/h5-10,19H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide?
N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyltetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1316538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).