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

C12H14ClN3O3S — CID 78961556

IUPAC6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClN3O3S/c1-7-12(9(3)19-15-7)8(2)16-20(17,18)10-4-5-11(13)14-6-10/h4-6,8,16H,1-3H3
InChIKeyZFOVRZZRXWDPFS-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.38
Rot. Bonds4

About 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide

6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 78961556) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
PubChem CID78961556
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1noc(C)c1C(C)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H14ClN3O3S/c1-7-12(9(3)19-15-7)8(2)16-20(17,18)10-4-5-11(13)14-6-10/h4-6,8,16H,1-3H3
InChIKeyZFOVRZZRXWDPFS-UHFFFAOYSA-N
XLogP2.38
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-sulfonamide
CID 79237898
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-hydroxybenzenesulfonamide
CID 81245889
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 79236641
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63063511
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(methylamino)pyridine-3-sulfonamide
CID 79231400
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylsulfamoyl]-5-methylbenzoic acid
CID 167974119
1-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]methanesulfonamide
CID 79237652

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide (CID 78961556) is 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide is Cc1noc(C)c1C(C)NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is ZFOVRZZRXWDPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-7-12(9(3)19-15-7)8(2)16-20(17,18)10-4-5-11(13)14-6-10/h4-6,8,16H,1-3H3.
What are the key properties of 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 78961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).