3-(4-amino-2-iodoanilino)propane-1-sulfonamide

C9H14IN3O2S — CID 66093146

IUPAC3-(4-amino-2-iodoanilino)propane-1-sulfonamide
SMILESNc1ccc(NCCCS(N)(=O)=O)c(I)c1
InChIInChI=1S/C9H14IN3O2S/c10-8-6-7(11)2-3-9(8)13-4-1-5-16(12,14)15/h2-3,6,13H,1,4-5,11H2,(H2,12,14,15)
InChIKeyACFQGTLKRBECPW-UHFFFAOYSA-N
MW355.20 g/mol
LogP0.96
Rot. Bonds5

About 3-(4-amino-2-iodoanilino)propane-1-sulfonamide

3-(4-amino-2-iodoanilino)propane-1-sulfonamide (PubChem CID 66093146) has the molecular formula C9H14IN3O2S and a molecular weight of 355.20 g/mol. Its IUPAC name is 3-(4-amino-2-iodoanilino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4-amino-2-iodoanilino)propane-1-sulfonamide
PubChem CID66093146
Molecular FormulaC9H14IN3O2S
Molecular Weight355.20 g/mol
Exact Mass354.99
IUPAC Name3-(4-amino-2-iodoanilino)propane-1-sulfonamide
SMILESNc1ccc(NCCCS(N)(=O)=O)c(I)c1
InChIInChI=1S/C9H14IN3O2S/c10-8-6-7(11)2-3-9(8)13-4-1-5-16(12,14)15/h2-3,6,13H,1,4-5,11H2,(H2,12,14,15)
InChIKeyACFQGTLKRBECPW-UHFFFAOYSA-N
XLogP0.96
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
3-(4-amino-2-iodoanilino)-N-methylpropanamide
CID 66092939
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
2-[3-[4-amino-2-(2-hydroxyethylsulfonyl)anilino]propylsulfonyl]ethanol
CID 121356188
3-(2,4-dinitroanilino)propane-1-sulfonamide
CID 61063868
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
CID 66094796
4-amino-2-(3-sulfamoylpropylsulfamoyl)benzoic acid
CID 102931171
N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
CID 106333784
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-iodoanilino)propane-1-sulfonamide?
The IUPAC name of 3-(4-amino-2-iodoanilino)propane-1-sulfonamide (CID 66093146) is 3-(4-amino-2-iodoanilino)propane-1-sulfonamide.
What is the SMILES notation for 3-(4-amino-2-iodoanilino)propane-1-sulfonamide?
The canonical SMILES for 3-(4-amino-2-iodoanilino)propane-1-sulfonamide is Nc1ccc(NCCCS(N)(=O)=O)c(I)c1.
What is the InChIKey of 3-(4-amino-2-iodoanilino)propane-1-sulfonamide?
The InChIKey is ACFQGTLKRBECPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O2S/c10-8-6-7(11)2-3-9(8)13-4-1-5-16(12,14)15/h2-3,6,13H,1,4-5,11H2,(H2,12,14,15).
What are the key properties of 3-(4-amino-2-iodoanilino)propane-1-sulfonamide?
3-(4-amino-2-iodoanilino)propane-1-sulfonamide has a molecular weight of 355.20 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-iodoanilino)propane-1-sulfonamide is sourced from PubChem (CID 66093146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).