5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide

C15H13ClN2O3S2 — CID 110314704

IUPAC5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cc(-c2ccccc2)on1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2O3S2/c16-14-6-7-15(22-14)23(19,20)17-9-8-12-10-13(21-18-12)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeySQAVDTGUNCGRQK-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.58
Rot. Bonds6

About 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110314704) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110314704
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC Name5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1cc(-c2ccccc2)on1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2O3S2/c16-14-6-7-15(22-14)23(19,20)17-9-8-12-10-13(21-18-12)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeySQAVDTGUNCGRQK-UHFFFAOYSA-N
XLogP3.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide (CID 110314704) is 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1cc(-c2ccccc2)on1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SQAVDTGUNCGRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c16-14-6-7-15(22-14)23(19,20)17-9-8-12-10-13(21-18-12)11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 368.87 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110314704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).