N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide

C18H21N5O3S — CID 24557123

IUPACN,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
SMILESCc1ccc(-c2nnn(CCOc3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-14-4-6-15(7-5-14)18-19-21-23(20-18)12-13-26-16-8-10-17(11-9-16)27(24,25)22(2)3/h4-11H,12-13H2,1-3H3
InChIKeySOZLJDBRYOFYJX-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.98
Rot. Bonds7

About N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide (PubChem CID 24557123) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
PubChem CID24557123
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
SMILESCc1ccc(-c2nnn(CCOc3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1
InChIInChI=1S/C18H21N5O3S/c1-14-4-6-15(7-5-14)18-19-21-23(20-18)12-13-26-16-8-10-17(11-9-16)27(24,25)22(2)3/h4-11H,12-13H2,1-3H3
InChIKeySOZLJDBRYOFYJX-UHFFFAOYSA-N
XLogP1.98
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24558209
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
N,N-dimethyl-4-[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)ethoxy]benzenesulfonamide
CID 48730206
methyl 4-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethoxy]benzoate
CID 55841019
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
N,N-dimethyl-4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzenesulfonamide
CID 17421191
[4-(2-decyltetrazol-5-yl)phenyl] 4-decoxybenzoate
CID 102108808
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide (CID 24557123) is N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide is Cc1ccc(-c2nnn(CCOc3ccc(S(=O)(=O)N(C)C)cc3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide?
The InChIKey is SOZLJDBRYOFYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-14-4-6-15(7-5-14)18-19-21-23(20-18)12-13-26-16-8-10-17(11-9-16)27(24,25)22(2)3/h4-11H,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 24557123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).