N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide

C15H17NO4S — CID 107863541

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C15H17NO4S/c1-20-13-8-5-9-14(10-13)21(18,19)16-15(11-17)12-6-3-2-4-7-12/h2-10,15-17H,11H2,1H3/t15-/m1/s1
InChIKeyMSNDQSPQJYBTRH-OAHLLOKOSA-N
MW307.37 g/mol
LogP1.71
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide (PubChem CID 107863541) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
PubChem CID107863541
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C15H17NO4S/c1-20-13-8-5-9-14(10-13)21(18,19)16-15(11-17)12-6-3-2-4-7-12/h2-10,15-17H,11H2,1H3/t15-/m1/s1
InChIKeyMSNDQSPQJYBTRH-OAHLLOKOSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837026
3-methoxy-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765548
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide (CID 107863541) is N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide?
The InChIKey is MSNDQSPQJYBTRH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-20-13-8-5-9-14(10-13)21(18,19)16-15(11-17)12-6-3-2-4-7-12/h2-10,15-17H,11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 107863541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).