2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide

C18H19N3O5S2 — CID 70113177

IUPAC2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCS(=O)(=O)NCCc1ccccc1-c1ccc(-c2ncco2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O5S2/c1-27(22,23)21-9-8-13-4-2-3-5-15(13)16-7-6-14(18-20-10-11-26-18)12-17(16)28(19,24)25/h2-7,10-12,21H,8-9H2,1H3,(H2,19,24,25)
InChIKeyPMSZNKMXPYMOMI-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.75
Rot. Bonds7

About 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide

2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 70113177) has the molecular formula C18H19N3O5S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID70113177
Molecular FormulaC18H19N3O5S2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC Name2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCS(=O)(=O)NCCc1ccccc1-c1ccc(-c2ncco2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O5S2/c1-27(22,23)21-9-8-13-4-2-3-5-15(13)16-7-6-14(18-20-10-11-26-18)12-17(16)28(19,24)25/h2-7,10-12,21H,8-9H2,1H3,(H2,19,24,25)
InChIKeyPMSZNKMXPYMOMI-UHFFFAOYSA-N
XLogP1.75
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide (CID 70113177) is 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide is CS(=O)(=O)NCCc1ccccc1-c1ccc(-c2ncco2)cc1S(N)(=O)=O.
What is the InChIKey of 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is PMSZNKMXPYMOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S2/c1-27(22,23)21-9-8-13-4-2-3-5-15(13)16-7-6-14(18-20-10-11-26-18)12-17(16)28(19,24)25/h2-7,10-12,21H,8-9H2,1H3,(H2,19,24,25).
What are the key properties of 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70113177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).