4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide

C17H18ClN5O3S — CID 24558209

IUPAC4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCn2nnc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H18ClN5O3S/c1-22(2)27(24,25)16-8-6-15(7-9-16)26-11-10-23-20-17(19-21-23)13-4-3-5-14(18)12-13/h3-9,12H,10-11H2,1-2H3
InChIKeyRWVCSXVWWNPWDX-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.32
Rot. Bonds7

About 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 24558209) has the molecular formula C17H18ClN5O3S and a molecular weight of 407.88 g/mol. Its IUPAC name is 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID24558209
Molecular FormulaC17H18ClN5O3S
Molecular Weight407.88 g/mol
Exact Mass407.08
IUPAC Name4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(OCCn2nnc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C17H18ClN5O3S/c1-22(2)27(24,25)16-8-6-15(7-9-16)26-11-10-23-20-17(19-21-23)13-4-3-5-14(18)12-13/h3-9,12H,10-11H2,1-2H3
InChIKeyRWVCSXVWWNPWDX-UHFFFAOYSA-N
XLogP2.32
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[2-[5-(4-methylphenyl)tetrazol-2-yl]ethoxy]benzenesulfonamide
CID 24557123
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
CID 30834345
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
N,N-dimethyl-4-[2-(4-oxo-6-phenylthieno[3,2-d]pyrimidin-3-yl)ethoxy]benzenesulfonamide
CID 55496828
4-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 17443923
propan-2-yl 3-[2-(2-phenoxyethyl)tetrazol-5-yl]benzoate
CID 51582592
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
4-[2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24556959
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide (CID 24558209) is 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(OCCn2nnc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is RWVCSXVWWNPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3S/c1-22(2)27(24,25)16-8-6-15(7-9-16)26-11-10-23-20-17(19-21-23)13-4-3-5-14(18)12-13/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 407.88 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24558209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).