2-amino-4-(3-chlorophenoxy)benzenesulfonamide

C12H11ClN2O3S — CID 79467084

IUPAC2-amino-4-(3-chlorophenoxy)benzenesulfonamide
SMILESNc1cc(Oc2cccc(Cl)c2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H11ClN2O3S/c13-8-2-1-3-9(6-8)18-10-4-5-12(11(14)7-10)19(15,16)17/h1-7H,14H2,(H2,15,16,17)
InChIKeyLDMKKSRLVCZUOF-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-4-(3-chlorophenoxy)benzenesulfonamide

2-amino-4-(3-chlorophenoxy)benzenesulfonamide (PubChem CID 79467084) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenoxy)benzenesulfonamide
PubChem CID79467084
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name2-amino-4-(3-chlorophenoxy)benzenesulfonamide
SMILESNc1cc(Oc2cccc(Cl)c2)ccc1S(N)(=O)=O
InChIInChI=1S/C12H11ClN2O3S/c13-8-2-1-3-9(6-8)18-10-4-5-12(11(14)7-10)19(15,16)17/h1-7H,14H2,(H2,15,16,17)
InChIKeyLDMKKSRLVCZUOF-UHFFFAOYSA-N
XLogP2.36
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
CID 21487309
4-(3-chlorophenoxy)benzenesulfonyl fluoride
CID 165459698
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(3-chlorophenoxy)benzenesulfonamide (CID 79467084) is 2-amino-4-(3-chlorophenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-chlorophenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-chlorophenoxy)benzenesulfonamide is Nc1cc(Oc2cccc(Cl)c2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(3-chlorophenoxy)benzenesulfonamide?
The InChIKey is LDMKKSRLVCZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c13-8-2-1-3-9(6-8)18-10-4-5-12(11(14)7-10)19(15,16)17/h1-7H,14H2,(H2,15,16,17).
What are the key properties of 2-amino-4-(3-chlorophenoxy)benzenesulfonamide?
2-amino-4-(3-chlorophenoxy)benzenesulfonamide has a molecular weight of 298.75 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenoxy)benzenesulfonamide is sourced from PubChem (CID 79467084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).