2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C19H23ClN2O3S — CID 8844524

IUPAC2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-15-6-8-16(9-7-15)18(14-22-10-12-25-13-11-22)21-26(23,24)19-5-3-2-4-17(19)20/h2-9,18,21H,10-14H2,1H3/t18-/m0/s1
InChIKeyILNLVVFUWPOYAP-SFHVURJKSA-N
MW394.92 g/mol
LogP3.00
Rot. Bonds6

About 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 8844524) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID8844524
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-15-6-8-16(9-7-15)18(14-22-10-12-25-13-11-22)21-26(23,24)19-5-3-2-4-17(19)20/h2-9,18,21H,10-14H2,1H3/t18-/m0/s1
InChIKeyILNLVVFUWPOYAP-SFHVURJKSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 8844524) is 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is ILNLVVFUWPOYAP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15-6-8-16(9-7-15)18(14-22-10-12-25-13-11-22)21-26(23,24)19-5-3-2-4-17(19)20/h2-9,18,21H,10-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 8844524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).