N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide

C16H18N4O2S — CID 110732242

IUPACN-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3n[nH]nc23)cc1
InChIInChI=1S/C16H18N4O2S/c1-16(2,3)11-7-9-12(10-8-11)23(21,22)19-14-6-4-5-13-15(14)18-20-17-13/h4-10,19H,1-3H3,(H,17,18,20)
InChIKeyWCZSHOZSRNSIPZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.06
Rot. Bonds3

About N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide

N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide (PubChem CID 110732242) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
PubChem CID110732242
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3n[nH]nc23)cc1
InChIInChI=1S/C16H18N4O2S/c1-16(2,3)11-7-9-12(10-8-11)23(21,22)19-14-6-4-5-13-15(14)18-20-17-13/h4-10,19H,1-3H3,(H,17,18,20)
InChIKeyWCZSHOZSRNSIPZ-UHFFFAOYSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-benzotriazol-4-yl)-3,4-dimethylbenzenesulfonamide
CID 110732198
N-(2H-benzotriazol-4-yl)-1,3-benzodioxole-5-sulfonamide
CID 110732214
N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 110732213
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
N-(2H-benzotriazol-4-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110732229
4-methylsulfonyl-2H-benzotriazole
CID 54569293
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
N-(2H-benzotriazol-4-yl)-3-phenylpropane-1-sulfonamide
CID 110732235
N-(2H-benzotriazol-4-yl)nitrous amide
CID 66968771
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide (CID 110732242) is N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3n[nH]nc23)cc1.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide?
The InChIKey is WCZSHOZSRNSIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-16(2,3)11-7-9-12(10-8-11)23(21,22)19-14-6-4-5-13-15(14)18-20-17-13/h4-10,19H,1-3H3,(H,17,18,20).
What are the key properties of N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide?
N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 110732242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).