4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide

C17H18ClNO4S — CID 141068088

IUPAC4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c18-13-1-3-15(4-2-13)23-16-5-7-17(8-6-16)24(20,21)19-14-9-11-22-12-10-14/h1-8,14,19H,9-12H2
InChIKeyCHYXQBDHGDSMDW-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.59
Rot. Bonds5

About 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide

4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 141068088) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
PubChem CID141068088
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO4S/c18-13-1-3-15(4-2-13)23-16-5-7-17(8-6-16)24(20,21)19-14-9-11-22-12-10-14/h1-8,14,19H,9-12H2
InChIKeyCHYXQBDHGDSMDW-UHFFFAOYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]oxane
CID 139746766
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
N-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 69267301
4-(oxan-4-ylsulfamoyl)-N-(oxolan-3-yl)benzamide
CID 70734205
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide (CID 141068088) is 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOCC1)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is CHYXQBDHGDSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c18-13-1-3-15(4-2-13)23-16-5-7-17(8-6-16)24(20,21)19-14-9-11-22-12-10-14/h1-8,14,19H,9-12H2.
What are the key properties of 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide?
4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 367.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 141068088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).