3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide

C14H15ClN2O3S — CID 39630547

IUPAC3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)ccn1
InChIInChI=1S/C14H15ClN2O3S/c1-10-3-4-12(8-13(10)15)21(18,19)17-9-11-5-6-16-14(7-11)20-2/h3-8,17H,9H2,1-2H3
InChIKeyCFLSKLXOBQYKAX-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.53
Rot. Bonds5

About 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide

3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 39630547) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
PubChem CID39630547
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)ccn1
InChIInChI=1S/C14H15ClN2O3S/c1-10-3-4-12(8-13(10)15)21(18,19)17-9-11-5-6-16-14(7-11)20-2/h3-8,17H,9H2,1-2H3
InChIKeyCFLSKLXOBQYKAX-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
CID 71910816
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
4-(2,4-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 58108466
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 146022846
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106062049

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide (CID 39630547) is 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)ccn1.
What is the InChIKey of 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is CFLSKLXOBQYKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-10-3-4-12(8-13(10)15)21(18,19)17-9-11-5-6-16-14(7-11)20-2/h3-8,17H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 39630547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).