N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine

C10H11ClINO2S — CID 107632504

IUPACN-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccc(Cl)cc2I)C1
InChIInChI=1S/C10H11ClINO2S/c11-7-1-2-10(9(12)5-7)13-8-3-4-16(14,15)6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyJLROZIHYKJOIKM-UHFFFAOYSA-N
MW371.63 g/mol
LogP2.54
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine

N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine (PubChem CID 107632504) has the molecular formula C10H11ClINO2S and a molecular weight of 371.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine
PubChem CID107632504
Molecular FormulaC10H11ClINO2S
Molecular Weight371.63 g/mol
Exact Mass370.92
IUPAC NameN-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(Nc2ccc(Cl)cc2I)C1
InChIInChI=1S/C10H11ClINO2S/c11-7-1-2-10(9(12)5-7)13-8-3-4-16(14,15)6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyJLROZIHYKJOIKM-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-N-(1,1-dioxothiolan-3-yl)benzene-1,2-diamine
CID 43115448
N-(2-bromo-5-chlorophenyl)-1,1-dioxothiolan-3-amine
CID 81263687
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
N-(2-bromo-4-chlorophenyl)-1,1-dioxothian-4-amine
CID 81264155
N-(2-bromo-5-chlorophenyl)-1,1-dioxothian-3-amine
CID 81264463
1,1-dioxo-N-(2,4,5-trifluorophenyl)thiolan-3-amine
CID 55118632
1,1-dioxo-N-(2,4,6-trichlorophenyl)thiolan-3-amine
CID 43126505
methyl 4-chloro-2-[(1,1-dioxothian-3-yl)amino]benzoate
CID 63911640
N-(2-iodo-4-nitrophenyl)-1,1-dioxothian-3-amine
CID 66095751
4-chloro-N-[2-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 102566657
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine (CID 107632504) is N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(Nc2ccc(Cl)cc2I)C1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine?
The InChIKey is JLROZIHYKJOIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO2S/c11-7-1-2-10(9(12)5-7)13-8-3-4-16(14,15)6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine?
N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine has a molecular weight of 371.63 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 107632504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).