1-arsanyl-4-(sulfamoylamino)benzene

C6H9AsN2O2S — CID 173270316

IUPAC1-arsanyl-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc([AsH2])cc1
InChIInChI=1S/C6H9AsN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
InChIKeyMKKJIHVBBRAMON-UHFFFAOYSA-N
MW248.14 g/mol
LogP-1.44
Rot. Bonds2

About 1-arsanyl-4-(sulfamoylamino)benzene

1-arsanyl-4-(sulfamoylamino)benzene (PubChem CID 173270316) has the molecular formula C6H9AsN2O2S and a molecular weight of 248.14 g/mol. Its IUPAC name is 1-arsanyl-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-arsanyl-4-(sulfamoylamino)benzene
PubChem CID173270316
Molecular FormulaC6H9AsN2O2S
Molecular Weight248.14 g/mol
Exact Mass247.96
IUPAC Name1-arsanyl-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc([AsH2])cc1
InChIInChI=1S/C6H9AsN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,7H2,(H2,8,10,11)
InChIKeyMKKJIHVBBRAMON-UHFFFAOYSA-N
XLogP-1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

benzene;(sulfamoylamino)benzene
CID 174742453
1-(sulfamoylamino)-4-(trifluoromethyl)benzene
CID 10421755
1-hydroxy-2-iodo-4-(sulfamoylamino)benzene
CID 58523293
4-(sulfamoylamino)benzenecarboximidamide
CID 114959670
N,N-dimethyl-4-(sulfamoylamino)benzamide
CID 112573421
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
CID 10214581
3-[4-(sulfamoylamino)phenyl]propanoic acid
CID 114959005
methyl acetate;(sulfamoylamino)benzene
CID 174769394
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
2-bromo-4-(sulfamoylamino)benzenesulfonyl chloride
CID 43823049

Frequently Asked Questions

What is the IUPAC name of 1-arsanyl-4-(sulfamoylamino)benzene?
The IUPAC name of 1-arsanyl-4-(sulfamoylamino)benzene (CID 173270316) is 1-arsanyl-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-arsanyl-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-arsanyl-4-(sulfamoylamino)benzene is NS(=O)(=O)Nc1ccc([AsH2])cc1.
What is the InChIKey of 1-arsanyl-4-(sulfamoylamino)benzene?
The InChIKey is MKKJIHVBBRAMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9AsN2O2S/c7-5-1-3-6(4-2-5)9-12(8,10)11/h1-4,9H,7H2,(H2,8,10,11).
What are the key properties of 1-arsanyl-4-(sulfamoylamino)benzene?
1-arsanyl-4-(sulfamoylamino)benzene has a molecular weight of 248.14 g/mol, XLogP of -1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-arsanyl-4-(sulfamoylamino)benzene is sourced from PubChem (CID 173270316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).