N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H15ClN2O4S2 — CID 100729356

IUPACN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2O4S2/c1-7-12(8(2)19-15-7)21(16,17)14-6-9(18-3)10-4-5-11(13)20-10/h4-5,9,14H,6H2,1-3H3/t9-/m0/s1
InChIKeyLDEYXRDVWAYBOJ-VIFPVBQESA-N
MW350.85 g/mol
LogP2.67
Rot. Bonds6

About N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 100729356) has the molecular formula C12H15ClN2O4S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID100729356
Molecular FormulaC12H15ClN2O4S2
Molecular Weight350.85 g/mol
Exact Mass350.02
IUPAC NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2O4S2/c1-7-12(8(2)19-15-7)21(16,17)14-6-9(18-3)10-4-5-11(13)20-10/h4-5,9,14H,6H2,1-3H3/t9-/m0/s1
InChIKeyLDEYXRDVWAYBOJ-VIFPVBQESA-N
XLogP2.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 91631035
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
CID 91631055
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100729524
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-phenylmethanesulfonamide
CID 91631033
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 91631063
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100729967
1-(2-chlorophenyl)-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]methanesulfonamide
CID 121180260
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100730087
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 100729356) is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CO[C@@H](CNS(=O)(=O)c1c(C)noc1C)c1ccc(Cl)s1.
What is the InChIKey of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is LDEYXRDVWAYBOJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN2O4S2/c1-7-12(8(2)19-15-7)21(16,17)14-6-9(18-3)10-4-5-11(13)20-10/h4-5,9,14H,6H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 350.85 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 100729356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).