N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide

C24H35NO3S — CID 70580971

IUPACN-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide
SMILESCCCCCCCCCCc1c(OC)ccc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H35NO3S/c1-4-5-6-7-8-9-10-14-17-22-23(28-3)19-18-20(2)24(22)25-29(26,27)21-15-12-11-13-16-21/h11-13,15-16,18-19,25H,4-10,14,17H2,1-3H3
InChIKeyOXMWWUWVNPOCCX-UHFFFAOYSA-N
MW417.62 g/mol
LogP6.49
Rot. Bonds13

About N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide

N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide (PubChem CID 70580971) has the molecular formula C24H35NO3S and a molecular weight of 417.62 g/mol. Its IUPAC name is N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide
PubChem CID70580971
Molecular FormulaC24H35NO3S
Molecular Weight417.62 g/mol
Exact Mass417.23
IUPAC NameN-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide
SMILESCCCCCCCCCCc1c(OC)ccc(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H35NO3S/c1-4-5-6-7-8-9-10-14-17-22-23(28-3)19-18-20(2)24(22)25-29(26,27)21-15-12-11-13-16-21/h11-13,15-16,18-19,25H,4-10,14,17H2,1-3H3
InChIKeyOXMWWUWVNPOCCX-UHFFFAOYSA-N
XLogP6.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.62
LogP ≤ 56.49
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

2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
N-tridecylbenzenesulfonamide
CID 3514704
N-[4-nonyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 18617283
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
2-[(4-hexylphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
CID 84552363
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
benzenesulfonic acid;nonane
CID 158294552
N-(4-anilinophenyl)-4-hexylbenzenesulfonamide
CID 84552335
N-[3-chloro-6-hydroxy-2-(octadecylamino)phenyl]benzenesulfonamide
CID 70599046
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
N-(3-methoxy-4-phenylmethoxyphenyl)benzenesulfonamide
CID 71390494

Frequently Asked Questions

What is the IUPAC name of N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide (CID 70580971) is N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide is CCCCCCCCCCc1c(OC)ccc(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide?
The InChIKey is OXMWWUWVNPOCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO3S/c1-4-5-6-7-8-9-10-14-17-22-23(28-3)19-18-20(2)24(22)25-29(26,27)21-15-12-11-13-16-21/h11-13,15-16,18-19,25H,4-10,14,17H2,1-3H3.
What are the key properties of N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide?
N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide has a molecular weight of 417.62 g/mol, XLogP of 6.49, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-decyl-3-methoxy-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 70580971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).