1-(dimethylsulfamoylamino)-3-iodobenzene

C8H11IN2O2S — CID 60582672

IUPAC1-(dimethylsulfamoylamino)-3-iodobenzene
SMILESCN(C)S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C8H11IN2O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,1-2H3
InChIKeySRACVNZLCNKRTB-UHFFFAOYSA-N
MW326.16 g/mol
LogP1.51
Rot. Bonds3

About 1-(dimethylsulfamoylamino)-3-iodobenzene

1-(dimethylsulfamoylamino)-3-iodobenzene (PubChem CID 60582672) has the molecular formula C8H11IN2O2S and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-iodobenzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-iodobenzene
PubChem CID60582672
Molecular FormulaC8H11IN2O2S
Molecular Weight326.16 g/mol
Exact Mass325.96
IUPAC Name1-(dimethylsulfamoylamino)-3-iodobenzene
SMILESCN(C)S(=O)(=O)Nc1cccc(I)c1
InChIInChI=1S/C8H11IN2O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,1-2H3
InChIKeySRACVNZLCNKRTB-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
1-(dimethylsulfamoylamino)-3-nitrobenzene
CID 721778
1-chloro-N-(3-iodophenyl)methanesulfonamide
CID 63664275
1-(2-aminopropyl)-3-(dimethylsulfamoylamino)benzene
CID 21327409
2-[3-(dimethylsulfamoylamino)phenyl]-1,3-dioxoisoindole
CID 110352273
1-(2-bromoacetyl)-3-(dimethylsulfamoylamino)benzene
CID 18615270
N-(3-iodophenyl)-1-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 106029547
3-[3-(dimethylsulfamoylamino)phenyl]prop-2-enoic acid
CID 54971920
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
3-iodo-N-methylaniline
CID 11075306
1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
CID 112979882

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-iodobenzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-iodobenzene (CID 60582672) is 1-(dimethylsulfamoylamino)-3-iodobenzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-iodobenzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-iodobenzene is CN(C)S(=O)(=O)Nc1cccc(I)c1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-iodobenzene?
The InChIKey is SRACVNZLCNKRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2S/c1-11(2)14(12,13)10-8-5-3-4-7(9)6-8/h3-6,10H,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-iodobenzene?
1-(dimethylsulfamoylamino)-3-iodobenzene has a molecular weight of 326.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-iodobenzene is sourced from PubChem (CID 60582672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).