3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide

C16H18ClNO5S — CID 2812610

IUPAC3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO5S/c1-22-14-5-7-15(8-6-14)23-11-13(19)10-18-24(20,21)16-4-2-3-12(17)9-16/h2-9,13,18-19H,10-11H2,1H3
InChIKeyRVTFLHVYSAIFAP-UHFFFAOYSA-N
MW371.84 g/mol
LogP2.07
Rot. Bonds8

About 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide

3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide (PubChem CID 2812610) has the molecular formula C16H18ClNO5S and a molecular weight of 371.84 g/mol. Its IUPAC name is 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
PubChem CID2812610
Molecular FormulaC16H18ClNO5S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC Name3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
SMILESCOc1ccc(OCC(O)CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClNO5S/c1-22-14-5-7-15(8-6-14)23-11-13(19)10-18-24(20,21)16-4-2-3-12(17)9-16/h2-9,13,18-19H,10-11H2,1H3
InChIKeyRVTFLHVYSAIFAP-UHFFFAOYSA-N
XLogP2.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide (CID 2812610) is 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide is COc1ccc(OCC(O)CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
The InChIKey is RVTFLHVYSAIFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S/c1-22-14-5-7-15(8-6-14)23-11-13(19)10-18-24(20,21)16-4-2-3-12(17)9-16/h2-9,13,18-19H,10-11H2,1H3.
What are the key properties of 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide?
3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide has a molecular weight of 371.84 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 2812610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).