4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

C16H17ClN2O3S — CID 4794708

IUPAC4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyHJDXPCGTNJJLAC-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.98
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 4794708) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID4794708
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h1-8,18H,9-12H2
InChIKeyHJDXPCGTNJJLAC-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

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
5-amino-N-(2-chlorophenyl)-2-(morpholin-4-yl)benzene-1-sulfonamide
CID 5010173
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 4851806
3-amino-N-(2,5-dichlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3866644
1-[(4-Chlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 985365
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
3-chloro-4-fluoro-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813491
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4257412
2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl benzenesulfinate
CID 5189792
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604931

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (CID 4794708) is 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is HJDXPCGTNJJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h1-8,18H,9-12H2.
What are the key properties of 4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
4-chloro-N-(2-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-(2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 4794708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).