2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide

C14H18N4O3S — CID 146144482

IUPAC2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide
SMILESO=S(=O)(CCn1cc(C2(O)CCC2)nn1)Nc1ccccc1
InChIInChI=1S/C14H18N4O3S/c19-14(7-4-8-14)13-11-18(17-15-13)9-10-22(20,21)16-12-5-2-1-3-6-12/h1-3,5-6,11,16,19H,4,7-10H2
InChIKeyHSEXMICUVYNRKV-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.09
Rot. Bonds6

About 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide

2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide (PubChem CID 146144482) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide
PubChem CID146144482
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide
SMILESO=S(=O)(CCn1cc(C2(O)CCC2)nn1)Nc1ccccc1
InChIInChI=1S/C14H18N4O3S/c19-14(7-4-8-14)13-11-18(17-15-13)9-10-22(20,21)16-12-5-2-1-3-6-12/h1-3,5-6,11,16,19H,4,7-10H2
InChIKeyHSEXMICUVYNRKV-UHFFFAOYSA-N
XLogP1.09
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide?
The IUPAC name of 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide (CID 146144482) is 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide.
What is the SMILES notation for 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide?
The canonical SMILES for 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide is O=S(=O)(CCn1cc(C2(O)CCC2)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide?
The InChIKey is HSEXMICUVYNRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c19-14(7-4-8-14)13-11-18(17-15-13)9-10-22(20,21)16-12-5-2-1-3-6-12/h1-3,5-6,11,16,19H,4,7-10H2.
What are the key properties of 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide?
2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxycyclobutyl)triazol-1-yl]-N-phenylethanesulfonamide is sourced from PubChem (CID 146144482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).