N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide

C15H16N4O3S — CID 7696323

IUPACN,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3)c2c1
InChIInChI=1S/C15H16N4O3S/c1-18(2)23(20,21)13-8-9-14-15(10-13)19(17-16-14)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyQZARSBAPVYKQMW-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.31
Rot. Bonds5

About N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide

N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide (PubChem CID 7696323) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
PubChem CID7696323
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3)c2c1
InChIInChI=1S/C15H16N4O3S/c1-18(2)23(20,21)13-8-9-14-15(10-13)19(17-16-14)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeyQZARSBAPVYKQMW-UHFFFAOYSA-N
XLogP1.31
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide (CID 7696323) is N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3)c2c1.
What is the InChIKey of N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide?
The InChIKey is QZARSBAPVYKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-18(2)23(20,21)13-8-9-14-15(10-13)19(17-16-14)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide?
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide is sourced from PubChem (CID 7696323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).