N,N-dimethylbenzotriazole-1-sulfonamide

C8H10N4O2S — CID 572555

IUPACN,N-dimethylbenzotriazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1nnc2ccccc21
InChIInChI=1S/C8H10N4O2S/c1-11(2)15(13,14)12-8-6-4-3-5-7(8)9-10-12/h3-6H,1-2H3
InChIKeyYNYCMNXDQXVQJC-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.09
Rot. Bonds2

About N,N-dimethylbenzotriazole-1-sulfonamide

N,N-dimethylbenzotriazole-1-sulfonamide (PubChem CID 572555) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is N,N-dimethylbenzotriazole-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylbenzotriazole-1-sulfonamide
PubChem CID572555
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC NameN,N-dimethylbenzotriazole-1-sulfonamide
SMILESCN(C)S(=O)(=O)n1nnc2ccccc21
InChIInChI=1S/C8H10N4O2S/c1-11(2)15(13,14)12-8-6-4-3-5-7(8)9-10-12/h3-6H,1-2H3
InChIKeyYNYCMNXDQXVQJC-UHFFFAOYSA-N
XLogP0.09
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbenzotriazole-1-sulfonamide?
The IUPAC name of N,N-dimethylbenzotriazole-1-sulfonamide (CID 572555) is N,N-dimethylbenzotriazole-1-sulfonamide.
What is the SMILES notation for N,N-dimethylbenzotriazole-1-sulfonamide?
The canonical SMILES for N,N-dimethylbenzotriazole-1-sulfonamide is CN(C)S(=O)(=O)n1nnc2ccccc21.
What is the InChIKey of N,N-dimethylbenzotriazole-1-sulfonamide?
The InChIKey is YNYCMNXDQXVQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-11(2)15(13,14)12-8-6-4-3-5-7(8)9-10-12/h3-6H,1-2H3.
What are the key properties of N,N-dimethylbenzotriazole-1-sulfonamide?
N,N-dimethylbenzotriazole-1-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbenzotriazole-1-sulfonamide is sourced from PubChem (CID 572555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).