3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide

C16H17Cl2N3O3S — CID 3866644

IUPAC3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)15(9-11)20-25(22,23)12-2-4-16(14(19)10-12)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2
InChIKeyMWXMCPKBDFXORT-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide

3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 3866644) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
PubChem CID3866644
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)15(9-11)20-25(22,23)12-2-4-16(14(19)10-12)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2
InChIKeyMWXMCPKBDFXORT-UHFFFAOYSA-N
XLogP3.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
3-amino-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145955557
3-amino-N-(2,5-dichlorophenyl)-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 3840199
3-chloro-4-fluoro-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813491
5-amino-N-(2,5-dichlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 3870175
1-(3-Chlorophenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)urea
CID 4337596
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 2100353
N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylbenzenesulfonamide
CID 2120968
3-amino-N-(2-chlorophenyl)-4-(piperidin-1-yl)benzene-1-sulfonamide
CID 3713455
2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3750785

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide (CID 3866644) is 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1N1CCOCC1.
What is the InChIKey of 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is MWXMCPKBDFXORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c17-11-1-3-13(18)15(9-11)20-25(22,23)12-2-4-16(14(19)10-12)21-5-7-24-8-6-21/h1-4,9-10,20H,5-8,19H2.
What are the key properties of 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide?
3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 402.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichlorophenyl)-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 3866644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).