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

C18H19N3O5S2 — CID 70113173

IUPAC2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccccc1-c1ccc(-c2ncco2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O5S2/c1-12(21-27(2,22)23)14-5-3-4-6-15(14)16-8-7-13(18-20-9-10-26-18)11-17(16)28(19,24)25/h3-12,21H,1-2H3,(H2,19,24,25)
InChIKeyIDLBFZUPSQEQBN-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.27
Rot. Bonds6

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

2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 70113173) has the molecular formula C18H19N3O5S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID70113173
Molecular FormulaC18H19N3O5S2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC Name2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccccc1-c1ccc(-c2ncco2)cc1S(N)(=O)=O
InChIInChI=1S/C18H19N3O5S2/c1-12(21-27(2,22)23)14-5-3-4-6-15(14)16-8-7-13(18-20-9-10-26-18)11-17(16)28(19,24)25/h3-12,21H,1-2H3,(H2,19,24,25)
InChIKeyIDLBFZUPSQEQBN-UHFFFAOYSA-N
XLogP2.27
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide (CID 70113173) is 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide is CC(NS(C)(=O)=O)c1ccccc1-c1ccc(-c2ncco2)cc1S(N)(=O)=O.
What is the InChIKey of 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is IDLBFZUPSQEQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S2/c1-12(21-27(2,22)23)14-5-3-4-6-15(14)16-8-7-13(18-20-9-10-26-18)11-17(16)28(19,24)25/h3-12,21H,1-2H3,(H2,19,24,25).
What are the key properties of 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide?
2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methanesulfonamido)ethyl]phenyl]-5-(1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70113173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).