N-tridecylbenzenesulfonamide

C19H33NO2S — CID 3514704

IUPACN-tridecylbenzenesulfonamide
SMILESCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H33NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-23(21,22)19-16-13-12-14-17-19/h12-14,16-17,20H,2-11,15,18H2,1H3
InChIKeyWDRWVZGTXVVKSZ-UHFFFAOYSA-N
MW339.54 g/mol
LogP5.28
Rot. Bonds14

About N-tridecylbenzenesulfonamide

N-tridecylbenzenesulfonamide (PubChem CID 3514704) has the molecular formula C19H33NO2S and a molecular weight of 339.54 g/mol. Its IUPAC name is N-tridecylbenzenesulfonamide.

Molecular Properties

Compound NameN-tridecylbenzenesulfonamide
PubChem CID3514704
Molecular FormulaC19H33NO2S
Molecular Weight339.54 g/mol
Exact Mass339.22
IUPAC NameN-tridecylbenzenesulfonamide
SMILESCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H33NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-23(21,22)19-16-13-12-14-17-19/h12-14,16-17,20H,2-11,15,18H2,1H3
InChIKeyWDRWVZGTXVVKSZ-UHFFFAOYSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
1-[11-(benzenesulfonamido)undec-5-enyl]-3-pentylurea
CID 77140945
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-decyl-9,10-dioxoanthracene-2-sulfonamide
CID 18592937
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638

Frequently Asked Questions

What is the IUPAC name of N-tridecylbenzenesulfonamide?
The IUPAC name of N-tridecylbenzenesulfonamide (CID 3514704) is N-tridecylbenzenesulfonamide.
What is the SMILES notation for N-tridecylbenzenesulfonamide?
The canonical SMILES for N-tridecylbenzenesulfonamide is CCCCCCCCCCCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-tridecylbenzenesulfonamide?
The InChIKey is WDRWVZGTXVVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-23(21,22)19-16-13-12-14-17-19/h12-14,16-17,20H,2-11,15,18H2,1H3.
What are the key properties of N-tridecylbenzenesulfonamide?
N-tridecylbenzenesulfonamide has a molecular weight of 339.54 g/mol, XLogP of 5.28, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecylbenzenesulfonamide is sourced from PubChem (CID 3514704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).