N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide

C14H14N4O3S2 — CID 55820522

IUPACN-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(OCCn2cncn2)c1)c1cccs1
InChIInChI=1S/C14H14N4O3S2/c19-23(20,14-5-2-8-22-14)17-12-3-1-4-13(9-12)21-7-6-18-11-15-10-16-18/h1-5,8-11,17H,6-7H2
InChIKeyDKABONCVVRBOKB-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.22
Rot. Bonds7

About N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide

N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide (PubChem CID 55820522) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
PubChem CID55820522
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC NameN-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(OCCn2cncn2)c1)c1cccs1
InChIInChI=1S/C14H14N4O3S2/c19-23(20,14-5-2-8-22-14)17-12-3-1-4-13(9-12)21-7-6-18-11-15-10-16-18/h1-5,8-11,17H,6-7H2
InChIKeyDKABONCVVRBOKB-UHFFFAOYSA-N
XLogP2.22
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4,5,6-pentamethyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzenesulfonamide
CID 60549348
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55814190
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
3-(3,5-dimethylphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769708
2-(4-phenoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide
CID 55769676
2-methyl-5-methylsulfonyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]benzamide
CID 55882008
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
(2R)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-2-carboxamide
CID 119859094
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55769546
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide (CID 55820522) is N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc(OCCn2cncn2)c1)c1cccs1.
What is the InChIKey of N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
The InChIKey is DKABONCVVRBOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c19-23(20,14-5-2-8-22-14)17-12-3-1-4-13(9-12)21-7-6-18-11-15-10-16-18/h1-5,8-11,17H,6-7H2.
What are the key properties of N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide has a molecular weight of 350.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55820522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).