N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C20H24N2O5S — CID 51504925

IUPACN-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15-4-8-18(9-5-15)27-14-17(23)13-21-28(25,26)19-10-6-16(7-11-19)22-12-2-3-20(22)24/h4-11,17,21,23H,2-3,12-14H2,1H3/t17-/m0/s1
InChIKeyCBSSUUZHPFHIIQ-KRWDZBQOSA-N
MW404.49 g/mol
LogP1.84
Rot. Bonds8

About N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 51504925) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID51504925
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15-4-8-18(9-5-15)27-14-17(23)13-21-28(25,26)19-10-6-16(7-11-19)22-12-2-3-20(22)24/h4-11,17,21,23H,2-3,12-14H2,1H3/t17-/m0/s1
InChIKeyCBSSUUZHPFHIIQ-KRWDZBQOSA-N
XLogP1.84
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-3-[4-(methylamino)phenoxy]propyl]-4-methylbenzenesulfonamide
CID 41476250
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096887
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 112502519
N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110356537
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]benzenesulfonamide
CID 1300823
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16673900
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
4-(2-oxopiperidin-1-yl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110312144

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 51504925) is N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is CBSSUUZHPFHIIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15-4-8-18(9-5-15)27-14-17(23)13-21-28(25,26)19-10-6-16(7-11-19)22-12-2-3-20(22)24/h4-11,17,21,23H,2-3,12-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 51504925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).