2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide

C11H11ClN2O3S — CID 62524558

IUPAC2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccnc(Cl)c2)o1
InChIInChI=1S/C11H11ClN2O3S/c1-8-2-3-9(17-8)7-14-18(15,16)10-4-5-13-11(12)6-10/h2-6,14H,7H2,1H3
InChIKeyNQTATEXIFSZYAN-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide

2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide (PubChem CID 62524558) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
PubChem CID62524558
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccnc(Cl)c2)o1
InChIInChI=1S/C11H11ClN2O3S/c1-8-2-3-9(17-8)7-14-18(15,16)10-4-5-13-11(12)6-10/h2-6,14H,7H2,1H3
InChIKeyNQTATEXIFSZYAN-UHFFFAOYSA-N
XLogP2.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.11
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-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 61045796
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
4-chloro-N-[(5-methylfuran-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 62524044
2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-sulfonamide
CID 61046336
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(5-methylfuran-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39855189
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
CID 103292180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide (CID 62524558) is 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ccnc(Cl)c2)o1.
What is the InChIKey of 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide?
The InChIKey is NQTATEXIFSZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-8-2-3-9(17-8)7-14-18(15,16)10-4-5-13-11(12)6-10/h2-6,14H,7H2,1H3.
What are the key properties of 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide?
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide has a molecular weight of 286.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 62524558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).