2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide

C11H15ClN2O3S — CID 113491040

IUPAC2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccnc(Cl)c2)CCOCC1
InChIInChI=1S/C11H15ClN2O3S/c1-11(3-6-17-7-4-11)14-18(15,16)9-2-5-13-10(12)8-9/h2,5,8,14H,3-4,6-7H2,1H3
InChIKeyXNXZRZHTWBUGNO-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide

2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide (PubChem CID 113491040) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
PubChem CID113491040
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccnc(Cl)c2)CCOCC1
InChIInChI=1S/C11H15ClN2O3S/c1-11(3-6-17-7-4-11)14-18(15,16)9-2-5-13-10(12)8-9/h2,5,8,14H,3-4,6-7H2,1H3
InChIKeyXNXZRZHTWBUGNO-UHFFFAOYSA-N
XLogP1.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-methyloxan-3-yl)pyridine-4-sulfonamide
CID 114113555
1,4-dichloro-N-(4-methyloxan-4-yl)isoquinoline-7-sulfonamide
CID 59106408
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
CID 115634619
6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
CID 114613753
N-(4-methyloxan-4-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138044685
5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 115767149
4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 106833516
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide (CID 113491040) is 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide is CC1(NS(=O)(=O)c2ccnc(Cl)c2)CCOCC1.
What is the InChIKey of 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide?
The InChIKey is XNXZRZHTWBUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-11(3-6-17-7-4-11)14-18(15,16)9-2-5-13-10(12)8-9/h2,5,8,14H,3-4,6-7H2,1H3.
What are the key properties of 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide?
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 113491040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).