N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide

C14H14N4O4S — CID 110732213

IUPACN-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc3n[nH]nc23)c1
InChIInChI=1S/C14H14N4O4S/c1-21-9-6-7-12(22-2)13(8-9)23(19,20)17-11-5-3-4-10-14(11)16-18-15-10/h3-8,17H,1-2H3,(H,15,16,18)
InChIKeyYWURJJNJBCNLEI-UHFFFAOYSA-N
MW334.36 g/mol
LogP1.78
Rot. Bonds5

About N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide

N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 110732213) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID110732213
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc3n[nH]nc23)c1
InChIInChI=1S/C14H14N4O4S/c1-21-9-6-7-12(22-2)13(8-9)23(19,20)17-11-5-3-4-10-14(11)16-18-15-10/h3-8,17H,1-2H3,(H,15,16,18)
InChIKeyYWURJJNJBCNLEI-UHFFFAOYSA-N
XLogP1.78
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
N-(2H-benzotriazol-4-yl)-4-tert-butylbenzenesulfonamide
CID 110732242
2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379362
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2,5-dimethoxy-N-(3-oxo-4H-1,4-benzoxazin-8-yl)benzenesulfonamide
CID 110291824
2,5-dimethoxy-N-(2-methylimidazo[1,2-a]pyridin-8-yl)benzenesulfonamide
CID 110735315
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide (CID 110732213) is N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc3n[nH]nc23)c1.
What is the InChIKey of N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is YWURJJNJBCNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-21-9-6-7-12(22-2)13(8-9)23(19,20)17-11-5-3-4-10-14(11)16-18-15-10/h3-8,17H,1-2H3,(H,15,16,18).
What are the key properties of N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide?
N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 334.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110732213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).