5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

C17H19N5O4S — CID 1204211

IUPAC5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H19N5O4S/c1-4-22-17(18-20-21-22)12-9-10-15(26-3)16(11-12)27(23,24)19-13-7-5-6-8-14(13)25-2/h5-11,19H,4H2,1-3H3
InChIKeySDJOTAFCQVQMKR-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.18
Rot. Bonds7

About 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 1204211) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID1204211
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H19N5O4S/c1-4-22-17(18-20-21-22)12-9-10-15(26-3)16(11-12)27(23,24)19-13-7-5-6-8-14(13)25-2/h5-11,19H,4H2,1-3H3
InChIKeySDJOTAFCQVQMKR-UHFFFAOYSA-N
XLogP2.18
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-((5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenyl)sulfonyl)piperidine
CID 658999
Ethyl 4-[[2-methoxy-5-(1-propan-2-yltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 660389
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
Butyl 4-[[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonylamino]benzoate
CID 1907373
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
N-(2,4-dimethylphenyl)-2-methoxy-5-(1-methyl-1H-tetrazol-5-yl)benzenesulfonamide
CID 1316538
N-benzyl-5-(1-ethyltetrazol-5-yl)-2-methoxybenzenesulfonamide
CID 658808
ethyl 4-(5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxyphenylsulfonamido)benzoate
CID 979768

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (CID 1204211) is 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is SDJOTAFCQVQMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-4-22-17(18-20-21-22)12-9-10-15(26-3)16(11-12)27(23,24)19-13-7-5-6-8-14(13)25-2/h5-11,19H,4H2,1-3H3.
What are the key properties of 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 389.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltetrazol-5-yl)-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1204211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).