1-iodo-3-[(sulfamoylamino)methyl]benzene

C7H9IN2O2S — CID 20823765

IUPAC1-iodo-3-[(sulfamoylamino)methyl]benzene
SMILESNS(=O)(=O)NCc1cccc(I)c1
InChIInChI=1S/C7H9IN2O2S/c8-7-3-1-2-6(4-7)5-10-13(9,11)12/h1-4,10H,5H2,(H2,9,11,12)
InChIKeyUKQUFYWAFREXMX-UHFFFAOYSA-N
MW312.13 g/mol
LogP0.58
Rot. Bonds3

About 1-iodo-3-[(sulfamoylamino)methyl]benzene

1-iodo-3-[(sulfamoylamino)methyl]benzene (PubChem CID 20823765) has the molecular formula C7H9IN2O2S and a molecular weight of 312.13 g/mol. Its IUPAC name is 1-iodo-3-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-iodo-3-[(sulfamoylamino)methyl]benzene
PubChem CID20823765
Molecular FormulaC7H9IN2O2S
Molecular Weight312.13 g/mol
Exact Mass311.94
IUPAC Name1-iodo-3-[(sulfamoylamino)methyl]benzene
SMILESNS(=O)(=O)NCc1cccc(I)c1
InChIInChI=1S/C7H9IN2O2S/c8-7-3-1-2-6(4-7)5-10-13(9,11)12/h1-4,10H,5H2,(H2,9,11,12)
InChIKeyUKQUFYWAFREXMX-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
N'-hydroxy-3-[(sulfamoylamino)methyl]benzenecarboximidamide
CID 114959565
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
1-(4-hydroxybut-1-ynyl)-3-[(sulfamoylamino)methyl]benzene
CID 114959491
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-iodobenzenesulfonamide
CID 11219806
1-(chloromethyl)-3-iodobenzene
CID 13059978
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 1-iodo-3-[(sulfamoylamino)methyl]benzene (CID 20823765) is 1-iodo-3-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-iodo-3-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 1-iodo-3-[(sulfamoylamino)methyl]benzene is NS(=O)(=O)NCc1cccc(I)c1.
What is the InChIKey of 1-iodo-3-[(sulfamoylamino)methyl]benzene?
The InChIKey is UKQUFYWAFREXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O2S/c8-7-3-1-2-6(4-7)5-10-13(9,11)12/h1-4,10H,5H2,(H2,9,11,12).
What are the key properties of 1-iodo-3-[(sulfamoylamino)methyl]benzene?
1-iodo-3-[(sulfamoylamino)methyl]benzene has a molecular weight of 312.13 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 20823765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).