3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide

C17H22N2O3S — CID 71911398

IUPAC3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1N(C)C
InChIInChI=1S/C17H22N2O3S/c1-13-9-10-15(11-17(13)19(2)3)23(21,22)18-16(12-20)14-7-5-4-6-8-14/h4-11,16,18,20H,12H2,1-3H3
InChIKeyLJUOBRJHSIYMCH-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.07
Rot. Bonds6

About 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide

3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide (PubChem CID 71911398) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
PubChem CID71911398
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1N(C)C
InChIInChI=1S/C17H22N2O3S/c1-13-9-10-15(11-17(13)19(2)3)23(21,22)18-16(12-20)14-7-5-4-6-8-14/h4-11,16,18,20H,12H2,1-3H3
InChIKeyLJUOBRJHSIYMCH-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
3-(dimethylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 71911224
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-5-methylbenzenesulfonamide
CID 107862011
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
(2R)-4-amino-2-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-4-oxobutanoic acid
CID 167896354

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide (CID 71911398) is 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CO)c2ccccc2)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide?
The InChIKey is LJUOBRJHSIYMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-9-10-15(11-17(13)19(2)3)23(21,22)18-16(12-20)14-7-5-4-6-8-14/h4-11,16,18,20H,12H2,1-3H3.
What are the key properties of 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide?
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71911398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).