N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide

C35H65NO3S — CID 171730221

IUPACN-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCOCCCCCCC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C35H65NO3S/c1-4-6-8-10-11-12-13-14-15-16-18-22-30-36(40(37,38)35-28-26-34(3)27-29-35)31-23-19-17-21-25-33-39-32-24-20-9-7-5-2/h26-29H,4-25,30-33H2,1-3H3
InChIKeyPNVUNUWKUAXISD-UHFFFAOYSA-N
MW579.98 g/mol
LogP10.62
Rot. Bonds29

About N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide

N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide (PubChem CID 171730221) has the molecular formula C35H65NO3S and a molecular weight of 579.98 g/mol. Its IUPAC name is N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
PubChem CID171730221
Molecular FormulaC35H65NO3S
Molecular Weight579.98 g/mol
Exact Mass579.47
IUPAC NameN-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
SMILESCCCCCCCCCCCCCCN(CCCCCCCOCCCCCCC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C35H65NO3S/c1-4-6-8-10-11-12-13-14-15-16-18-22-30-36(40(37,38)35-28-26-34(3)27-29-35)31-23-19-17-21-25-33-39-32-24-20-9-7-5-2/h26-29H,4-25,30-33H2,1-3H3
InChIKeyPNVUNUWKUAXISD-UHFFFAOYSA-N
XLogP10.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.98
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
N,N-bis(7-bromoheptyl)-4-methylbenzenesulfonamide
CID 10673655
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
3-[(4-methylphenyl)sulfonyl-[4-[(4-methylphenyl)sulfonyl-(3-methylsulfonyloxypropyl)amino]butyl]amino]propyl methanesulfonate
CID 23242814
4-dodecyl-N-[6-[(4-dodecylphenyl)sulfonyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]hexyl]-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 122370740
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040

Frequently Asked Questions

What is the IUPAC name of N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide?
The IUPAC name of N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide (CID 171730221) is N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide.
What is the SMILES notation for N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide?
The canonical SMILES for N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide is CCCCCCCCCCCCCCN(CCCCCCCOCCCCCCC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide?
The InChIKey is PNVUNUWKUAXISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H65NO3S/c1-4-6-8-10-11-12-13-14-15-16-18-22-30-36(40(37,38)35-28-26-34(3)27-29-35)31-23-19-17-21-25-33-39-32-24-20-9-7-5-2/h26-29H,4-25,30-33H2,1-3H3.
What are the key properties of N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide?
N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide has a molecular weight of 579.98 g/mol, XLogP of 10.62, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide is sourced from PubChem (CID 171730221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).