N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide

C12H16N6O2S — CID 61253900

IUPACN-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)N1CCNCC1
InChIInChI=1S/C12H16N6O2S/c19-21(20,17-7-5-13-6-8-17)16-11-3-1-2-4-12(11)18-10-14-9-15-18/h1-4,9-10,13,16H,5-8H2
InChIKeyNQEWYUKWEGVVDA-UHFFFAOYSA-N
MW308.37 g/mol
LogP-0.17
Rot. Bonds4

About N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide

N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide (PubChem CID 61253900) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
PubChem CID61253900
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC NameN-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1cncn1)N1CCNCC1
InChIInChI=1S/C12H16N6O2S/c19-21(20,17-7-5-13-6-8-17)16-11-3-1-2-4-12(11)18-10-14-9-15-18/h1-4,9-10,13,16H,5-8H2
InChIKeyNQEWYUKWEGVVDA-UHFFFAOYSA-N
XLogP-0.17
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide (CID 61253900) is N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide is O=S(=O)(Nc1ccccc1-n1cncn1)N1CCNCC1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide?
The InChIKey is NQEWYUKWEGVVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c19-21(20,17-7-5-13-6-8-17)16-11-3-1-2-4-12(11)18-10-14-9-15-18/h1-4,9-10,13,16H,5-8H2.
What are the key properties of N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide?
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide has a molecular weight of 308.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61253900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).