N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide

C17H26N2O4S — CID 53280836

IUPACN-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-3-4-10-18-24(21,22)14-8-9-16(23-2)15(13-14)17(20)19-11-6-5-7-12-19/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKeyCFOSCMHEELOTLV-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.40
Rot. Bonds7

About N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide

N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 53280836) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID53280836
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O4S/c1-3-4-10-18-24(21,22)14-8-9-16(23-2)15(13-14)17(20)19-11-6-5-7-12-19/h8-9,13,18H,3-7,10-12H2,1-2H3
InChIKeyCFOSCMHEELOTLV-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.40
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

N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280909
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 40769366
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
4-methoxy-N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 21368120
N-(2-ethylhexyl)-4-methoxy-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133164270
N-[3-(furan-2-yl)propyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 53281021
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 53280836) is N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide is CCCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is CFOSCMHEELOTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-10-18-24(21,22)14-8-9-16(23-2)15(13-14)17(20)19-11-6-5-7-12-19/h8-9,13,18H,3-7,10-12H2,1-2H3.
What are the key properties of N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 53280836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).