2-(benzenesulfonyl)ethene-1,1-diamine

C8H10N2O2S — CID 21311523

IUPAC2-(benzenesulfonyl)ethene-1,1-diamine
SMILESNC(N)=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-6H,9-10H2
InChIKeyPXMGKYXDYOWWQM-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.18
Rot. Bonds2

About 2-(benzenesulfonyl)ethene-1,1-diamine

2-(benzenesulfonyl)ethene-1,1-diamine (PubChem CID 21311523) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethene-1,1-diamine.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethene-1,1-diamine
PubChem CID21311523
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-(benzenesulfonyl)ethene-1,1-diamine
SMILESNC(N)=CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-6H,9-10H2
InChIKeyPXMGKYXDYOWWQM-UHFFFAOYSA-N
XLogP0.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
2-chloroprop-1-enylsulfonylbenzene
CID 71326207
3-(benzenesulfonyl)prop-2-enamide;dihydrochloride
CID 129105097
[(1E)-2-bromo-3-methylbuta-1,3-dienyl]sulfonylbenzene
CID 102324021
(113C)ethenylsulfonylbenzene
CID 66995821
benzenesulfonic acid;manganese
CID 87184776
sodium (Z)-1-(benzenesulfonyl)-3-ethoxy-3-oxoprop-1-en-2-olate
CID 146277903
[(Z)-2-(benzenesulfonyl)-1-prop-2-ynoxyethenyl]benzene
CID 101096056
diazomethylsulfonylbenzene;hydrazine
CID 161243930
(E)-3-(benzenesulfonyl)prop-2-enoic acid;pentahydrate
CID 19831534
N'-(benzenesulfonyl)ethanimidamide
CID 3716690

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethene-1,1-diamine?
The IUPAC name of 2-(benzenesulfonyl)ethene-1,1-diamine (CID 21311523) is 2-(benzenesulfonyl)ethene-1,1-diamine.
What is the SMILES notation for 2-(benzenesulfonyl)ethene-1,1-diamine?
The canonical SMILES for 2-(benzenesulfonyl)ethene-1,1-diamine is NC(N)=CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethene-1,1-diamine?
The InChIKey is PXMGKYXDYOWWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-6H,9-10H2.
What are the key properties of 2-(benzenesulfonyl)ethene-1,1-diamine?
2-(benzenesulfonyl)ethene-1,1-diamine has a molecular weight of 198.25 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethene-1,1-diamine is sourced from PubChem (CID 21311523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).