1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene

C8H10N4O2S — CID 151507260

IUPAC1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
SMILESN#Cc1c(CN)cccc1NS(N)(=O)=O
InChIInChI=1S/C8H10N4O2S/c9-4-6-2-1-3-8(7(6)5-10)12-15(11,13)14/h1-3,12H,4,9H2,(H2,11,13,14)
InChIKeyPRRQVZZSVZMHCI-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.37
Rot. Bonds3

About 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene

1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene (PubChem CID 151507260) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
PubChem CID151507260
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene
SMILESN#Cc1c(CN)cccc1NS(N)(=O)=O
InChIInChI=1S/C8H10N4O2S/c9-4-6-2-1-3-8(7(6)5-10)12-15(11,13)14/h1-3,12H,4,9H2,(H2,11,13,14)
InChIKeyPRRQVZZSVZMHCI-UHFFFAOYSA-N
XLogP-0.37
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene?
The IUPAC name of 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene (CID 151507260) is 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene.
What is the SMILES notation for 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene?
The canonical SMILES for 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene is N#Cc1c(CN)cccc1NS(N)(=O)=O.
What is the InChIKey of 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene?
The InChIKey is PRRQVZZSVZMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c9-4-6-2-1-3-8(7(6)5-10)12-15(11,13)14/h1-3,12H,4,9H2,(H2,11,13,14).
What are the key properties of 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene?
1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene has a molecular weight of 226.26 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-cyano-3-(sulfamoylamino)benzene is sourced from PubChem (CID 151507260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).