3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide

C18H14ClNO3S — CID 113098759

IUPAC3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
InChIKeyIEGQJYXYHJQWSH-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.93
Rot. Bonds5

About 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide

3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide (PubChem CID 113098759) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
PubChem CID113098759
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H
InChIKeyIEGQJYXYHJQWSH-UHFFFAOYSA-N
XLogP4.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide (CID 113098759) is 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
The InChIKey is IEGQJYXYHJQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-14-5-4-8-18(13-14)24(21,22)20-15-9-11-17(12-10-15)23-16-6-2-1-3-7-16/h1-13,20H.
What are the key properties of 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide?
3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide has a molecular weight of 359.83 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 113098759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).