3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide

C9H12Cl2N2O2S — CID 60910481

IUPAC3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c10-8-3-2-7(6-9(8)11)13-16(14,15)5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyKGUVHYKSKWJOHN-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.08
Rot. Bonds5

About 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide

3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide (PubChem CID 60910481) has the molecular formula C9H12Cl2N2O2S and a molecular weight of 283.18 g/mol. Its IUPAC name is 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
PubChem CID60910481
Molecular FormulaC9H12Cl2N2O2S
Molecular Weight283.18 g/mol
Exact Mass282.00
IUPAC Name3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c10-8-3-2-7(6-9(8)11)13-16(14,15)5-1-4-12/h2-3,6,13H,1,4-5,12H2
InChIKeyKGUVHYKSKWJOHN-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
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3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
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3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
N-(3-amino-4-chlorophenyl)dodecane-1-sulfonamide
CID 19070380
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CID 114133599
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propane-1-sulfonamide
CID 54944928
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
3-amino-N-(9H-fluoren-2-yl)propane-1-sulfonamide
CID 60910333
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
CID 54952609
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide (CID 60910481) is 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide is NCCCS(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide?
The InChIKey is KGUVHYKSKWJOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S/c10-8-3-2-7(6-9(8)11)13-16(14,15)5-1-4-12/h2-3,6,13H,1,4-5,12H2.
What are the key properties of 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide?
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide has a molecular weight of 283.18 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60910481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).