5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide

C10H11ClN2O3S2 — CID 136512208

IUPAC5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)no1
InChIInChI=1S/C10H11ClN2O3S2/c1-6(2)7-5-9(12-16-7)13-18(14,15)10-4-3-8(11)17-10/h3-6H,1-2H3,(H,12,13)
InChIKeyMLIBLHPSRDADRR-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.31
Rot. Bonds4

About 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide

5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide (PubChem CID 136512208) has the molecular formula C10H11ClN2O3S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide
PubChem CID136512208
Molecular FormulaC10H11ClN2O3S2
Molecular Weight306.80 g/mol
Exact Mass305.99
IUPAC Name5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide
SMILESCC(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)no1
InChIInChI=1S/C10H11ClN2O3S2/c1-6(2)7-5-9(12-16-7)13-18(14,15)10-4-3-8(11)17-10/h3-6H,1-2H3,(H,12,13)
InChIKeyMLIBLHPSRDADRR-UHFFFAOYSA-N
XLogP3.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494
5-chloro-N-pyrazin-2-ylthiophene-2-sulfonamide
CID 22772898
N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 166328784
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
5-chloro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 64571587
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide
CID 22206944
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide (CID 136512208) is 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide is CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)no1.
What is the InChIKey of 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is MLIBLHPSRDADRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S2/c1-6(2)7-5-9(12-16-7)13-18(14,15)10-4-3-8(11)17-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide?
5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-propan-2-yl-1,2-oxazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 136512208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).