2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene

C9H12N4O2S — CID 68918682

IUPAC2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene
SMILESCc1ccccc1S(N)(=O)=O.c1cn2[nH]n12
InChIInChI=1S/C7H9NO2S.C2H3N3/c1-6-4-2-3-5-7(6)11(8,9)10;1-2-5-3-4(1)5/h2-5H,1H3,(H2,8,9,10);1-3H
InChIKeyXSEXNYRKNWXNMB-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.45
Rot. Bonds1

About 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene

2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene (PubChem CID 68918682) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene.

Molecular Properties

Compound Name2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene
PubChem CID68918682
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene
SMILESCc1ccccc1S(N)(=O)=O.c1cn2[nH]n12
InChIInChI=1S/C7H9NO2S.C2H3N3/c1-6-4-2-3-5-7(6)11(8,9)10;1-2-5-3-4(1)5/h2-5H,1H3,(H2,8,9,10);1-3H
InChIKeyXSEXNYRKNWXNMB-UHFFFAOYSA-N
XLogP0.45
TPSA84.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbenzenesulfonamide
CID 6924
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
2-methylbenzenesulfonic acid
CID 6925
1-(2-methylphenyl)sulfonylindole
CID 53400635
2-methylbenzenesulfonic acid;nickel
CID 174250296
ethane;2-methylbenzenesulfonic acid
CID 54049338
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
9-(2-methylphenyl)sulfonylcarbazole
CID 102076870
2-pyrazol-1-ylbenzenesulfonamide
CID 13489815
2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67644820
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene?
The IUPAC name of 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene (CID 68918682) is 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene.
What is the SMILES notation for 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene?
The canonical SMILES for 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene is Cc1ccccc1S(N)(=O)=O.c1cn2[nH]n12.
What is the InChIKey of 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene?
The InChIKey is XSEXNYRKNWXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C2H3N3/c1-6-4-2-3-5-7(6)11(8,9)10;1-2-5-3-4(1)5/h2-5H,1H3,(H2,8,9,10);1-3H.
What are the key properties of 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene?
2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene has a molecular weight of 240.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzenesulfonamide;1,4,5-triazabicyclo[2.1.0]pent-2-ene is sourced from PubChem (CID 68918682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).