N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

C15H15N5O2S — CID 847847

IUPACN-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-2-17-23(21,22)15-9-5-13(6-10-15)12-3-7-14(8-4-12)20-11-16-18-19-20/h3-11,17H,2H2,1H3
InChIKeyCZUBFGSDUMZUPK-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.63
Rot. Bonds5

About N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide

N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 847847) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID847847
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-2-17-23(21,22)15-9-5-13(6-10-15)12-3-7-14(8-4-12)20-11-16-18-19-20/h3-11,17H,2H2,1H3
InChIKeyCZUBFGSDUMZUPK-UHFFFAOYSA-N
XLogP1.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
CID 802528
4-methyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189723
2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189735
2,4,6-trimethyl-N-propan-2-yl-3-(tetrazol-1-yl)benzenesulfonamide
CID 3164032
N,2,6-trimethyl-N-phenyl-4-(1H-tetrazol-1-yl)benzenesulfonamide
CID 5301732
N-Benzyl-N-(4-dimethylamino-benzyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650476
2,4,6-trimethyl-3-(1H-tetrazol-1-yl)benzenesulfonamide
CID 1232477
4-Methyl-N-[2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-benzenesulfonamide
CID 1610590
N-(2,2-Diphenyl-ethyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 3202148
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 4795468
N-(4-Dimethylamino-phenyl)-2,4,6-trimethyl-3-tetrazol-1-yl-benzenesulfonamide
CID 5298773
2,4,6-trimethyl-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7694146

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 847847) is N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is CZUBFGSDUMZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-2-17-23(21,22)15-9-5-13(6-10-15)12-3-7-14(8-4-12)20-11-16-18-19-20/h3-11,17H,2H2,1H3.
What are the key properties of N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide?
N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 847847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).