5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide

C24H35N5O2S — CID 161306758

IUPAC5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2nn[nH]n2)cc1.CCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S.C11H14N4/c1-5-10-14-17(15,16)12-8-6-11(7-9-12)13(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10/h6-9,14H,5,10H2,1-4H3;4-7H,1-3H3,(H,12,13,14,15)
InChIKeyVIISIUKVJCYKRP-UHFFFAOYSA-N
MW457.64 g/mol
LogP4.84
Rot. Bonds5

About 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide

5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide (PubChem CID 161306758) has the molecular formula C24H35N5O2S and a molecular weight of 457.64 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide
PubChem CID161306758
Molecular FormulaC24H35N5O2S
Molecular Weight457.64 g/mol
Exact Mass457.25
IUPAC Name5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2nn[nH]n2)cc1.CCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H21NO2S.C11H14N4/c1-5-10-14-17(15,16)12-8-6-11(7-9-12)13(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10/h6-9,14H,5,10H2,1-4H3;4-7H,1-3H3,(H,12,13,14,15)
InChIKeyVIISIUKVJCYKRP-UHFFFAOYSA-N
XLogP4.84
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 137499938
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767
N-[4-(2H-tetrazol-5-yl)phenyl]ethanesulfonamide
CID 110720243
N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
CID 110720244
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
4-acetyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720283
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 17101469

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide?
The IUPAC name of 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide (CID 161306758) is 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide is CC(C)(C)c1ccc(-c2nn[nH]n2)cc1.CCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide?
The InChIKey is VIISIUKVJCYKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S.C11H14N4/c1-5-10-14-17(15,16)12-8-6-11(7-9-12)13(2,3)4;1-11(2,3)9-6-4-8(5-7-9)10-12-14-15-13-10/h6-9,14H,5,10H2,1-4H3;4-7H,1-3H3,(H,12,13,14,15).
What are the key properties of 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide?
5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide has a molecular weight of 457.64 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2H-tetrazole;4-tert-butyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 161306758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).