2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide

C9H13ClN2O3S — CID 107651707

IUPAC2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCCl)cn1
InChIInChI=1S/C9H13ClN2O3S/c1-15-9-3-2-8(6-11-9)7-12-16(13,14)5-4-10/h2-3,6,12H,4-5,7H2,1H3
InChIKeyOFNOHCVRFHCRIN-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.75
Rot. Bonds6

About 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide (PubChem CID 107651707) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
PubChem CID107651707
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCCl)cn1
InChIInChI=1S/C9H13ClN2O3S/c1-15-9-3-2-8(6-11-9)7-12-16(13,14)5-4-10/h2-3,6,12H,4-5,7H2,1H3
InChIKeyOFNOHCVRFHCRIN-UHFFFAOYSA-N
XLogP0.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
CID 106000823
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 51320454
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
2-tert-butylsulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 105006850
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide (CID 107651707) is 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide is COc1ccc(CNS(=O)(=O)CCCl)cn1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide?
The InChIKey is OFNOHCVRFHCRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-15-9-3-2-8(6-11-9)7-12-16(13,14)5-4-10/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide?
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107651707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).