N-(3-butoxypropyl)benzenesulfonamide

C13H21NO3S — CID 2163994

IUPACN-(3-butoxypropyl)benzenesulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-3-11-17-12-7-10-14-18(15,16)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyXNMNIXSSQPDOKG-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.17
Rot. Bonds9

About N-(3-butoxypropyl)benzenesulfonamide

N-(3-butoxypropyl)benzenesulfonamide (PubChem CID 2163994) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)benzenesulfonamide
PubChem CID2163994
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(3-butoxypropyl)benzenesulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H21NO3S/c1-2-3-11-17-12-7-10-14-18(15,16)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3
InChIKeyXNMNIXSSQPDOKG-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Butylbenzenesulfonamide
CID 19241
Benzenesulfonamide, N-(2-hydroxypropyl)-
CID 3015760
N-Ethylbenzenesulfonamide
CID 79279
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
n-Allylbenzenesulfonamide
CID 257467
N-(2-hydroxyethyl)benzenesulfonamide
CID 1722145
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
N-pentan-2-ylbenzenesulfonamide
CID 653062
(Phenylsulfonyl)(2-{2-[(phenylsulfonyl)amino]ethoxy}ethyl)amine
CID 2270178
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
(Oxolan-2-ylmethyl)(phenylsulfonyl)amine
CID 5029416
N-(1-Methylpropyl)benzenesulfonamide
CID 211877

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)benzenesulfonamide?
The IUPAC name of N-(3-butoxypropyl)benzenesulfonamide (CID 2163994) is N-(3-butoxypropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)benzenesulfonamide?
The canonical SMILES for N-(3-butoxypropyl)benzenesulfonamide is CCCCOCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(3-butoxypropyl)benzenesulfonamide?
The InChIKey is XNMNIXSSQPDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-2-3-11-17-12-7-10-14-18(15,16)13-8-5-4-6-9-13/h4-6,8-9,14H,2-3,7,10-12H2,1H3.
What are the key properties of N-(3-butoxypropyl)benzenesulfonamide?
N-(3-butoxypropyl)benzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)benzenesulfonamide is sourced from PubChem (CID 2163994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).