2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide

C14H18N4O3S — CID 155937652

IUPAC2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1cnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C14H18N4O3S/c1-21-13(11-7-8-11)10-22(19,20)16-14-9-15-17-18(14)12-5-3-2-4-6-12/h2-6,9,11,13,16H,7-8,10H2,1H3
InChIKeyZJNMMTFKBFWRKK-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.43
Rot. Bonds7

About 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide

2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide (PubChem CID 155937652) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide
PubChem CID155937652
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide
SMILESCOC(CS(=O)(=O)Nc1cnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C14H18N4O3S/c1-21-13(11-7-8-11)10-22(19,20)16-14-9-15-17-18(14)12-5-3-2-4-6-12/h2-6,9,11,13,16H,7-8,10H2,1H3
InChIKeyZJNMMTFKBFWRKK-UHFFFAOYSA-N
XLogP1.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide?
The IUPAC name of 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide (CID 155937652) is 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide?
The canonical SMILES for 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide is COC(CS(=O)(=O)Nc1cnnn1-c1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide?
The InChIKey is ZJNMMTFKBFWRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-21-13(11-7-8-11)10-22(19,20)16-14-9-15-17-18(14)12-5-3-2-4-6-12/h2-6,9,11,13,16H,7-8,10H2,1H3.
What are the key properties of 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide?
2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-N-(3-phenyltriazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 155937652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).