carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium

C8H10INO2SY-2 — CID 58436422

IUPACcarbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc(I)cc1.[CH3-].[Y]
InChIInChI=1S/C7H7INO2S.CH3.Y/c1-9-12(10,11)7-4-2-6(8)3-5-7;;/h2-5H,1H3;1H3;/q2*-1;
InChIKeyGSKHIEXWNQYPBK-UHFFFAOYSA-N
MW400.05 g/mol
LogP2.43
Rot. Bonds2

About carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium

carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium (PubChem CID 58436422) has the molecular formula C8H10INO2SY-2 and a molecular weight of 400.05 g/mol. Its IUPAC name is carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium.

Molecular Properties

Compound Namecarbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium
PubChem CID58436422
Molecular FormulaC8H10INO2SY-2
Molecular Weight400.05 g/mol
Exact Mass399.85
IUPAC Namecarbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium
SMILESC[N-]S(=O)(=O)c1ccc(I)cc1.[CH3-].[Y]
InChIInChI=1S/C7H7INO2S.CH3.Y/c1-9-12(10,11)7-4-2-6(8)3-5-7;;/h2-5H,1H3;1H3;/q2*-1;
InChIKeyGSKHIEXWNQYPBK-UHFFFAOYSA-N
XLogP2.43
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.05
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)sulfonyl-methylazanide
CID 101403328
carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium
CID 58436419
indium(3+);tris(4-iodobenzenesulfonate)
CID 22604169
indigane;4-iodobenzenesulfonic acid
CID 173230358
carbanide;methyl-[(3-oxo-1H-2-benzofuran-5-yl)sulfonyl]azanide;yttrium
CID 58436481
methyl-(3-methylphenyl)sulfonylazanide
CID 59280538
(4-iodophenyl)sulfonylmethanol
CID 58552975
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
1-iodo-4-(4-iodophenyl)sulfonylsulfanylbenzene
CID 86209128
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16645259
1-(2-chloroethylsulfonyl)-4-iodobenzene
CID 54064657

Frequently Asked Questions

What is the IUPAC name of carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium?
The IUPAC name of carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium (CID 58436422) is carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium.
What is the SMILES notation for carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium?
The canonical SMILES for carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium is C[N-]S(=O)(=O)c1ccc(I)cc1.[CH3-].[Y].
What is the InChIKey of carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium?
The InChIKey is GSKHIEXWNQYPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7INO2S.CH3.Y/c1-9-12(10,11)7-4-2-6(8)3-5-7;;/h2-5H,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium?
carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium has a molecular weight of 400.05 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(4-iodophenyl)sulfonyl-methylazanide;yttrium is sourced from PubChem (CID 58436422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).