N-(3-butoxypropyl)-4-hexylbenzenesulfonamide

C19H33NO3S — CID 84556936

IUPACN-(3-butoxypropyl)-4-hexylbenzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCCCOCCCC)cc1
InChIInChI=1S/C19H33NO3S/c1-3-5-7-8-10-18-11-13-19(14-12-18)24(21,22)20-15-9-17-23-16-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3
InChIKeyARJAHFKNAKCBGZ-UHFFFAOYSA-N
MW355.54 g/mol
LogP4.29
Rot. Bonds14

About N-(3-butoxypropyl)-4-hexylbenzenesulfonamide

N-(3-butoxypropyl)-4-hexylbenzenesulfonamide (PubChem CID 84556936) has the molecular formula C19H33NO3S and a molecular weight of 355.54 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-hexylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-hexylbenzenesulfonamide
PubChem CID84556936
Molecular FormulaC19H33NO3S
Molecular Weight355.54 g/mol
Exact Mass355.22
IUPAC NameN-(3-butoxypropyl)-4-hexylbenzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCCCOCCCC)cc1
InChIInChI=1S/C19H33NO3S/c1-3-5-7-8-10-18-11-13-19(14-12-18)24(21,22)20-15-9-17-23-16-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3
InChIKeyARJAHFKNAKCBGZ-UHFFFAOYSA-N
XLogP4.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.54
LogP ≤ 54.29
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-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-(3-aminooxypropyl)-N-propylbenzenesulfonamide
CID 39371877
N-[2-(2-bromoethoxy)ethyl]-4-propylbenzenesulfonamide
CID 113271420
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
butyl 4-hexadecylbenzenesulfonate
CID 57158675
N-[2-(cyclohexen-1-yl)ethyl]-4-hexylbenzenesulfonamide
CID 84556978

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-hexylbenzenesulfonamide?
The IUPAC name of N-(3-butoxypropyl)-4-hexylbenzenesulfonamide (CID 84556936) is N-(3-butoxypropyl)-4-hexylbenzenesulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-hexylbenzenesulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-4-hexylbenzenesulfonamide is CCCCCCc1ccc(S(=O)(=O)NCCCOCCCC)cc1.
What is the InChIKey of N-(3-butoxypropyl)-4-hexylbenzenesulfonamide?
The InChIKey is ARJAHFKNAKCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3S/c1-3-5-7-8-10-18-11-13-19(14-12-18)24(21,22)20-15-9-17-23-16-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3.
What are the key properties of N-(3-butoxypropyl)-4-hexylbenzenesulfonamide?
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide has a molecular weight of 355.54 g/mol, XLogP of 4.29, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-hexylbenzenesulfonamide is sourced from PubChem (CID 84556936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).