2-amino-6-chlorobenzenesulfonamide

C6H7ClN2O2S — CID 21197815

IUPAC2-amino-6-chlorobenzenesulfonamide
SMILESNc1cccc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C6H7ClN2O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyVPLLAJCHZAHLLF-UHFFFAOYSA-N
MW206.65 g/mol
LogP0.57
Rot. Bonds1

About 2-amino-6-chlorobenzenesulfonamide

2-amino-6-chlorobenzenesulfonamide (PubChem CID 21197815) has the molecular formula C6H7ClN2O2S and a molecular weight of 206.65 g/mol. Its IUPAC name is 2-amino-6-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chlorobenzenesulfonamide
PubChem CID21197815
Molecular FormulaC6H7ClN2O2S
Molecular Weight206.65 g/mol
Exact Mass205.99
IUPAC Name2-amino-6-chlorobenzenesulfonamide
SMILESNc1cccc(Cl)c1S(N)(=O)=O
InChIInChI=1S/C6H7ClN2O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyVPLLAJCHZAHLLF-UHFFFAOYSA-N
XLogP0.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.65
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chlorobenzenesulfonamide?
The IUPAC name of 2-amino-6-chlorobenzenesulfonamide (CID 21197815) is 2-amino-6-chlorobenzenesulfonamide.
What is the SMILES notation for 2-amino-6-chlorobenzenesulfonamide?
The canonical SMILES for 2-amino-6-chlorobenzenesulfonamide is Nc1cccc(Cl)c1S(N)(=O)=O.
What is the InChIKey of 2-amino-6-chlorobenzenesulfonamide?
The InChIKey is VPLLAJCHZAHLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 2-amino-6-chlorobenzenesulfonamide?
2-amino-6-chlorobenzenesulfonamide has a molecular weight of 206.65 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chlorobenzenesulfonamide is sourced from PubChem (CID 21197815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).