N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide

C8H11ClN2O3S — CID 170104579

IUPACN-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide
SMILESNc1cc(Cl)cc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C8H11ClN2O3S/c9-6-3-7(10)5-8(4-6)11-15(13,14)2-1-12/h3-5,11-12H,1-2,10H2
InChIKeySFBHSCQGRNPVLY-UHFFFAOYSA-N
MW250.71 g/mol
LogP0.66
Rot. Bonds4

About N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide

N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide (PubChem CID 170104579) has the molecular formula C8H11ClN2O3S and a molecular weight of 250.71 g/mol. Its IUPAC name is N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide
PubChem CID170104579
Molecular FormulaC8H11ClN2O3S
Molecular Weight250.71 g/mol
Exact Mass250.02
IUPAC NameN-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide
SMILESNc1cc(Cl)cc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C8H11ClN2O3S/c9-6-3-7(10)5-8(4-6)11-15(13,14)2-1-12/h3-5,11-12H,1-2,10H2
InChIKeySFBHSCQGRNPVLY-UHFFFAOYSA-N
XLogP0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide?
The IUPAC name of N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide (CID 170104579) is N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide?
The canonical SMILES for N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide is Nc1cc(Cl)cc(NS(=O)(=O)CCO)c1.
What is the InChIKey of N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide?
The InChIKey is SFBHSCQGRNPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O3S/c9-6-3-7(10)5-8(4-6)11-15(13,14)2-1-12/h3-5,11-12H,1-2,10H2.
What are the key properties of N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide?
N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide has a molecular weight of 250.71 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-chlorophenyl)-2-hydroxyethanesulfonamide is sourced from PubChem (CID 170104579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).