6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide

C14H15ClN2O3S — CID 7510094

IUPAC6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H15ClN2O3S/c1-10(12-5-3-4-6-13(12)20-2)17-21(18,19)11-7-8-14(15)16-9-11/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyXOIWJKPYCHXNTB-JTQLQIEISA-N
MW326.81 g/mol
LogP2.78
Rot. Bonds5

About 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide

6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 7510094) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID7510094
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCOc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C14H15ClN2O3S/c1-10(12-5-3-4-6-13(12)20-2)17-21(18,19)11-7-8-14(15)16-9-11/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyXOIWJKPYCHXNTB-JTQLQIEISA-N
XLogP2.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.78
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

4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
6-chloro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 86668141
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide (CID 7510094) is 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide is COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is XOIWJKPYCHXNTB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-10(12-5-3-4-6-13(12)20-2)17-21(18,19)11-7-8-14(15)16-9-11/h3-10,17H,1-2H3/t10-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7510094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).