2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene

C10H11N3O2S — CID 67399580

IUPAC2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
SMILESC=C(C)c1cccc(NS(N)(=O)=O)c1C#N
InChIInChI=1S/C10H11N3O2S/c1-7(2)8-4-3-5-10(9(8)6-11)13-16(12,14)15/h3-5,13H,1H2,2H3,(H2,12,14,15)
InChIKeyWSGXIBJIXMIQFK-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.21
Rot. Bonds3

About 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene

2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene (PubChem CID 67399580) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
PubChem CID67399580
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene
SMILESC=C(C)c1cccc(NS(N)(=O)=O)c1C#N
InChIInChI=1S/C10H11N3O2S/c1-7(2)8-4-3-5-10(9(8)6-11)13-16(12,14)15/h3-5,13H,1H2,2H3,(H2,12,14,15)
InChIKeyWSGXIBJIXMIQFK-UHFFFAOYSA-N
XLogP1.21
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
CID 151507260
2-methyl-6-prop-1-en-2-ylbenzonitrile
CID 138509680
2-cyano-1-(sulfamoylamino)-3-(3-trimethylsilylprop-1-ynyl)benzene
CID 67401198
2-cyano-1-cyclohexyl-3-(sulfamoylamino)benzene
CID 142767218
2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
CID 114959258
5-[2-cyano-3-(sulfamoylamino)phenoxy]pentylsulfamic acid
CID 150470910
2-cyano-1-(3-methylcyclopentyl)oxy-3-(sulfamoylamino)benzene
CID 67399845
4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane
CID 66746174
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]furan
CID 66746735
3-[[2-cyano-3-(sulfamoylamino)phenoxy]methyl]-5-methyl-1,2-oxazole
CID 66746103
ethyl 2-cyano-3-hydrazinylbenzoate
CID 134642108
2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
CID 107804201

Frequently Asked Questions

What is the IUPAC name of 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene?
The IUPAC name of 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene (CID 67399580) is 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene.
What is the SMILES notation for 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene?
The canonical SMILES for 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene is C=C(C)c1cccc(NS(N)(=O)=O)c1C#N.
What is the InChIKey of 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene?
The InChIKey is WSGXIBJIXMIQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(2)8-4-3-5-10(9(8)6-11)13-16(12,14)15/h3-5,13H,1H2,2H3,(H2,12,14,15).
What are the key properties of 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene?
2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene has a molecular weight of 237.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-prop-1-en-2-yl-3-(sulfamoylamino)benzene is sourced from PubChem (CID 67399580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).