4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide

C15H17ClN2O3S — CID 118736327

IUPAC4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)
InChIKeyCTWKYSIRGHULKI-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.03
Rot. Bonds6

About 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide

4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 118736327) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID118736327
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21)
InChIKeyCTWKYSIRGHULKI-UHFFFAOYSA-N
XLogP2.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide (CID 118736327) is 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCc2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is CTWKYSIRGHULKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c16-13-3-6-15(19)12(9-13)10-18-8-7-11-1-4-14(5-2-11)22(17,20)21/h1-6,9,18-19H,7-8,10H2,(H2,17,20,21).
What are the key properties of 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide?
4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 340.83 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 118736327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).