4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide

C17H22N2O3S — CID 110661328

IUPAC4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2cccnc2)cc1C
InChIInChI=1S/C17H22N2O3S/c1-14-12-16(8-9-17(14)22-2)23(20,21)19-11-4-3-6-15-7-5-10-18-13-15/h5,7-10,12-13,19H,3-4,6,11H2,1-2H3
InChIKeyYPBAWOHSXNPFLH-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.70
Rot. Bonds8

About 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide

4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide (PubChem CID 110661328) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
PubChem CID110661328
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2cccnc2)cc1C
InChIInChI=1S/C17H22N2O3S/c1-14-12-16(8-9-17(14)22-2)23(20,21)19-11-4-3-6-15-7-5-10-18-13-15/h5,7-10,12-13,19H,3-4,6,11H2,1-2H3
InChIKeyYPBAWOHSXNPFLH-UHFFFAOYSA-N
XLogP2.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methoxy-N-(4-pyridin-3-ylbutyl)benzenesulfonamide
CID 110661338
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
4-propan-2-yl-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110400290
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055375
6-[(4-methoxyphenyl)sulfonylamino]-2-(3-pyridin-3-ylpropyl)hexanoic acid
CID 10319970
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-methoxy-3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620786
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide (CID 110661328) is 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCc2cccnc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
The InChIKey is YPBAWOHSXNPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-14-12-16(8-9-17(14)22-2)23(20,21)19-11-4-3-6-15-7-5-10-18-13-15/h5,7-10,12-13,19H,3-4,6,11H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(4-pyridin-3-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 110661328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).