5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide

C14H15ClN2O3S — CID 107733551

IUPAC5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(16)6-7-13(14)15/h3-9,18H,2,16H2,1H3
InChIKeyJIJORSNVVKTHLJ-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.84
Rot. Bonds4

About 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide

5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 107733551) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID107733551
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C14H15ClN2O3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(16)6-7-13(14)15/h3-9,18H,2,16H2,1H3
InChIKeyJIJORSNVVKTHLJ-UHFFFAOYSA-N
XLogP2.84
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.84
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-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
CID 103223846
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
2,5-dichloro-N-ethyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 100506731
3-amino-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733553
4-amino-2-chloro-N-ethyl-N-(4-methylphenyl)benzenesulfonamide
CID 62001633
2,5-dichloro-N-ethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100508533
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
5-amino-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733505
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide (CID 107733551) is 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is JIJORSNVVKTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(16)6-7-13(14)15/h3-9,18H,2,16H2,1H3.
What are the key properties of 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide?
5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 107733551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).