5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide

C11H13ClN2O3S2 — CID 110646335

IUPAC5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1noc(C)c1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O3S2/c1-7-9(8(2)17-14-7)5-6-13-19(15,16)11-4-3-10(12)18-11/h3-4,13H,5-6H2,1-2H3
InChIKeyGPEVZDCRNQXTLE-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.53
Rot. Bonds5

About 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110646335) has the molecular formula C11H13ClN2O3S2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110646335
Molecular FormulaC11H13ClN2O3S2
Molecular Weight320.82 g/mol
Exact Mass320.01
IUPAC Name5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1noc(C)c1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2O3S2/c1-7-9(8(2)17-14-7)5-6-13-19(15,16)11-4-3-10(12)18-11/h3-4,13H,5-6H2,1-2H3
InChIKeyGPEVZDCRNQXTLE-UHFFFAOYSA-N
XLogP2.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 110646333
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 110646318
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110646326
5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110314704
5-chloro-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113086266
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 71912550
5-chloro-N-heptylthiophene-2-sulfonamide
CID 19681281
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
2-amino-5-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyridine-3-sulfonamide
CID 71967708
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
4-cyclopentyloxy-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110646346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide (CID 110646335) is 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide is Cc1noc(C)c1CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GPEVZDCRNQXTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S2/c1-7-9(8(2)17-14-7)5-6-13-19(15,16)11-4-3-10(12)18-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110646335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).