N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide

C18H19N3O5S2 — CID 70113174

IUPACN-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1cc(-c2ncco2)ccc1-c1ccccc1
InChIInChI=1S/C18H19N3O5S2/c1-27(22,23)20-9-10-21-28(24,25)17-13-15(18-19-11-12-26-18)7-8-16(17)14-5-3-2-4-6-14/h2-8,11-13,20-21H,9-10H2,1H3
InChIKeyDUNFITDEKMYVAI-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.84
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide

N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide (PubChem CID 70113174) has the molecular formula C18H19N3O5S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
PubChem CID70113174
Molecular FormulaC18H19N3O5S2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide
SMILESCS(=O)(=O)NCCNS(=O)(=O)c1cc(-c2ncco2)ccc1-c1ccccc1
InChIInChI=1S/C18H19N3O5S2/c1-27(22,23)20-9-10-21-28(24,25)17-13-15(18-19-11-12-26-18)7-8-16(17)14-5-3-2-4-6-14/h2-8,11-13,20-21H,9-10H2,1H3
InChIKeyDUNFITDEKMYVAI-UHFFFAOYSA-N
XLogP1.84
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide (CID 70113174) is N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide is CS(=O)(=O)NCCNS(=O)(=O)c1cc(-c2ncco2)ccc1-c1ccccc1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
The InChIKey is DUNFITDEKMYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S2/c1-27(22,23)20-9-10-21-28(24,25)17-13-15(18-19-11-12-26-18)7-8-16(17)14-5-3-2-4-6-14/h2-8,11-13,20-21H,9-10H2,1H3.
What are the key properties of N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide?
N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-5-(1,3-oxazol-2-yl)-2-phenylbenzenesulfonamide is sourced from PubChem (CID 70113174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).