4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide

C14H15ClN2O3S — CID 107861980

IUPAC4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c15-12-8-11(16)6-7-14(12)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9,16H2/t13-/m1/s1
InChIKeySNSZDSPBOAEROS-CYBMUJFWSA-N
MW326.81 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide

4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (PubChem CID 107861980) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
PubChem CID107861980
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c15-12-8-11(16)6-7-14(12)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9,16H2/t13-/m1/s1
InChIKeySNSZDSPBOAEROS-CYBMUJFWSA-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-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688
2-amino-5-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861982
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 107861957
2-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182602
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide (CID 107861980) is 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
The InChIKey is SNSZDSPBOAEROS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c15-12-8-11(16)6-7-14(12)21(19,20)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,17-18H,9,16H2/t13-/m1/s1.
What are the key properties of 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide?
4-amino-2-chloro-N-[(1S)-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 4-amino-2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 107861980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).