2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide

C20H24Cl2N2O3S — CID 16892861

IUPAC2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCN1CCOC(c2ccccc2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H24Cl2N2O3S/c21-17-8-9-18(22)20(14-17)28(25,26)23-10-4-5-11-24-12-13-27-19(15-24)16-6-2-1-3-7-16/h1-3,6-9,14,19,23H,4-5,10-13,15H2
InChIKeyWBGZEABEKPQTBZ-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.13
Rot. Bonds8

About 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide

2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide (PubChem CID 16892861) has the molecular formula C20H24Cl2N2O3S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
PubChem CID16892861
Molecular FormulaC20H24Cl2N2O3S
Molecular Weight443.40 g/mol
Exact Mass442.09
IUPAC Name2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCN1CCOC(c2ccccc2)C1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H24Cl2N2O3S/c21-17-8-9-18(22)20(14-17)28(25,26)23-10-4-5-11-24-12-13-27-19(15-24)16-6-2-1-3-7-16/h1-3,6-9,14,19,23H,4-5,10-13,15H2
InChIKeyWBGZEABEKPQTBZ-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866754
5-chloro-2-methyl-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866752
2,4-difluoro-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzenesulfonamide
CID 51866734
2,5-difluoro-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866623
2,4,5-trimethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzenesulfonamide
CID 51866648
N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]naphthalene-2-sulfonamide
CID 51866714
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
4-fluoro-3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892809
2-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892682
N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]naphthalene-2-sulfonamide
CID 30851092
4-tert-butyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892762
2,5-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzenesulfonamide
CID 16892761

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide (CID 16892861) is 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide is O=S(=O)(NCCCCN1CCOC(c2ccccc2)C1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
The InChIKey is WBGZEABEKPQTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O3S/c21-17-8-9-18(22)20(14-17)28(25,26)23-10-4-5-11-24-12-13-27-19(15-24)16-6-2-1-3-7-16/h1-3,6-9,14,19,23H,4-5,10-13,15H2.
What are the key properties of 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide?
2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide has a molecular weight of 443.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 16892861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).