2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide

C14H15ClN2O3S — CID 63182602

IUPAC2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H15ClN2O3S/c15-11-7-4-8-12(16)14(11)21(19,20)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,17-18H,9,16H2
InChIKeyGFSBDTBJOQKLIG-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide

2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide (PubChem CID 63182602) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
PubChem CID63182602
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C14H15ClN2O3S/c15-11-7-4-8-12(16)14(11)21(19,20)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,17-18H,9,16H2
InChIKeyGFSBDTBJOQKLIG-UHFFFAOYSA-N
XLogP1.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
2-amino-6-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 107213648
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861980
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
N-benzhydryl-2,6-dichlorobenzenesulfonamide
CID 3332711

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide (CID 63182602) is 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide is Nc1cccc(Cl)c1S(=O)(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
The InChIKey is GFSBDTBJOQKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c15-11-7-4-8-12(16)14(11)21(19,20)17-13(9-18)10-5-2-1-3-6-10/h1-8,13,17-18H,9,16H2.
What are the key properties of 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide?
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 63182602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).