(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide

C19H23ClN2O5S — CID 59136405

IUPAC(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCOCCO)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-14(19(24)21-10-12-27-13-11-23)15-6-8-16(9-7-15)22-28(25,26)18-5-3-2-4-17(18)20/h2-9,14,22-23H,10-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyBOWWDDNJBCHVSB-CQSZACIVSA-N
MW426.92 g/mol
LogP2.37
Rot. Bonds10

About (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide

(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide (PubChem CID 59136405) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
PubChem CID59136405
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
SMILESC[C@@H](C(=O)NCCOCCO)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O5S/c1-14(19(24)21-10-12-27-13-11-23)15-6-8-16(9-7-15)22-28(25,26)18-5-3-2-4-17(18)20/h2-9,14,22-23H,10-13H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyBOWWDDNJBCHVSB-CQSZACIVSA-N
XLogP2.37
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965668
N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 85068622
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87732153
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
CID 110369728
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
2-[2-[(2-chlorophenyl)sulfonylamino]ethoxy]propanoic acid
CID 110504575
(2S)-2-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]butanamide
CID 177299430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The IUPAC name of (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide (CID 59136405) is (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The canonical SMILES for (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide is C[C@@H](C(=O)NCCOCCO)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
The InChIKey is BOWWDDNJBCHVSB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-14(19(24)21-10-12-27-13-11-23)15-6-8-16(9-7-15)22-28(25,26)18-5-3-2-4-17(18)20/h2-9,14,22-23H,10-13H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide?
(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide has a molecular weight of 426.92 g/mol, XLogP of 2.37, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide is sourced from PubChem (CID 59136405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).