N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide

C14H14N4O2S2 — CID 119101653

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC(Cn1nccn1)c1ccccc1)c1cccs1
InChIInChI=1S/C14H14N4O2S2/c19-22(20,14-7-4-10-21-14)17-13(11-18-15-8-9-16-18)12-5-2-1-3-6-12/h1-10,13,17H,11H2
InChIKeySCVYWSIXAZASFM-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.06
Rot. Bonds6

About N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide

N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 119101653) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID119101653
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC(Cn1nccn1)c1ccccc1)c1cccs1
InChIInChI=1S/C14H14N4O2S2/c19-22(20,14-7-4-10-21-14)17-13(11-18-15-8-9-16-18)12-5-2-1-3-6-12/h1-10,13,17H,11H2
InChIKeySCVYWSIXAZASFM-UHFFFAOYSA-N
XLogP2.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-phenyl-2-(triazol-2-yl)ethyl]propane-1-sulfonamide
CID 121176556
N-[(S)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815899
N-[(R)-phenyl(thiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 8815903
2,4-dimethyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176514
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
1-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 121176610
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
N-[cyano(phenyl)methyl]thiophene-2-sulfonamide
CID 3833145
(3S)-3-(4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanoate
CID 8831032

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 119101653) is N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NC(Cn1nccn1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SCVYWSIXAZASFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c19-22(20,14-7-4-10-21-14)17-13(11-18-15-8-9-16-18)12-5-2-1-3-6-12/h1-10,13,17H,11H2.
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 334.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(triazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 119101653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).