4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C16H17ClN2O3S — CID 1365326

IUPAC4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyRJPVOJHKPMJOET-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.98
Rot. Bonds4

About 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 1365326) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID1365326
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyRJPVOJHKPMJOET-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 1365326) is 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is RJPVOJHKPMJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-13-1-7-16(8-2-13)23(20,21)18-14-3-5-15(6-4-14)19-9-11-22-12-10-19/h1-8,18H,9-12H2.
What are the key properties of 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 352.84 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 1365326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).