N-(3-octoxypropyl)-1-phenylmethanesulfonamide

C18H31NO3S — CID 19014106

IUPACN-(3-octoxypropyl)-1-phenylmethanesulfonamide
SMILESCCCCCCCCOCCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H31NO3S/c1-2-3-4-5-6-10-15-22-16-11-14-19-23(20,21)17-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3
InChIKeyBXMJTVPWSNAMAF-UHFFFAOYSA-N
MW341.52 g/mol
LogP3.87
Rot. Bonds14

About N-(3-octoxypropyl)-1-phenylmethanesulfonamide

N-(3-octoxypropyl)-1-phenylmethanesulfonamide (PubChem CID 19014106) has the molecular formula C18H31NO3S and a molecular weight of 341.52 g/mol. Its IUPAC name is N-(3-octoxypropyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-octoxypropyl)-1-phenylmethanesulfonamide
PubChem CID19014106
Molecular FormulaC18H31NO3S
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC NameN-(3-octoxypropyl)-1-phenylmethanesulfonamide
SMILESCCCCCCCCOCCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C18H31NO3S/c1-2-3-4-5-6-10-15-22-16-11-14-19-23(20,21)17-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3
InChIKeyBXMJTVPWSNAMAF-UHFFFAOYSA-N
XLogP3.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 53.87
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-octadecyl-1-phenylmethanesulfonamide
CID 139636949
2-amino-N-(3-hexoxypropyl)benzenesulfonamide
CID 58720589
4-octadecoxybutylbenzene
CID 70977182
3-decoxypropylbenzene
CID 150065328
5-pentoxypentylbenzene
CID 19046566
1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
1-phenyl-N-(3-triethoxysilylpropyl)methanesulfonamide
CID 68511239
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
N-pentoxy-2-phenylethanamine
CID 57075178

Frequently Asked Questions

What is the IUPAC name of N-(3-octoxypropyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3-octoxypropyl)-1-phenylmethanesulfonamide (CID 19014106) is N-(3-octoxypropyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3-octoxypropyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3-octoxypropyl)-1-phenylmethanesulfonamide is CCCCCCCCOCCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(3-octoxypropyl)-1-phenylmethanesulfonamide?
The InChIKey is BXMJTVPWSNAMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3S/c1-2-3-4-5-6-10-15-22-16-11-14-19-23(20,21)17-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3.
What are the key properties of N-(3-octoxypropyl)-1-phenylmethanesulfonamide?
N-(3-octoxypropyl)-1-phenylmethanesulfonamide has a molecular weight of 341.52 g/mol, XLogP of 3.87, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-octoxypropyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 19014106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).