3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C16H16Cl2N2O3S — CID 3856880

IUPAC3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-9-13(18)11-16(10-12)24(21,22)19-14-1-3-15(4-2-14)20-5-7-23-8-6-20/h1-4,9-11,19H,5-8H2
InChIKeyNBJFINIHKUICHE-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.63
Rot. Bonds4

About 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 3856880) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID3856880
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O3S/c17-12-9-13(18)11-16(10-12)24(21,22)19-14-1-3-15(4-2-14)20-5-7-23-8-6-20/h1-4,9-11,19H,5-8H2
InChIKeyNBJFINIHKUICHE-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.63
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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Related Compounds

3,5-dichloro-N-(6-morpholin-4-yl-3-pyridinyl)benzenesulfonamide
CID 25044149
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
CID 126622029
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
4-chloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112981742
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
3,4-diethoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 9030518
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzenesulfonamide
CID 113025354
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 3856880) is 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is NBJFINIHKUICHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c17-12-9-13(18)11-16(10-12)24(21,22)19-14-1-3-15(4-2-14)20-5-7-23-8-6-20/h1-4,9-11,19H,5-8H2.
What are the key properties of 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 387.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3856880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).