N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide

C16H19NO4S — CID 94818649

IUPACN-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO4S/c1-13(18)12-17(14-6-4-3-5-7-14)22(19,20)16-10-8-15(21-2)9-11-16/h3-11,13,18H,12H2,1-2H3/t13-/m0/s1
InChIKeyXVVZNIKWUGJOPA-ZDUSSCGKSA-N
MW321.40 g/mol
LogP2.27
Rot. Bonds6

About N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide

N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 94818649) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID94818649
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1
InChIInChI=1S/C16H19NO4S/c1-13(18)12-17(14-6-4-3-5-7-14)22(19,20)16-10-8-15(21-2)9-11-16/h3-11,13,18H,12H2,1-2H3/t13-/m0/s1
InChIKeyXVVZNIKWUGJOPA-ZDUSSCGKSA-N
XLogP2.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2884976
N-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 6963649
N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide
CID 97108754
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 126154891
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634203
(2R)-2-[[(2R)-3-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-2-hydroxypropyl]amino]propanoic acid
CID 51696302
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521
N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 1077010

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide (CID 94818649) is N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is XVVZNIKWUGJOPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-13(18)12-17(14-6-4-3-5-7-14)22(19,20)16-10-8-15(21-2)9-11-16/h3-11,13,18H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide?
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 94818649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).