3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide

C16H26Cl2N2O3S — CID 54289316

IUPAC3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide
SMILESCCCCCCN(CCN(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H26Cl2N2O3S/c1-4-5-6-7-8-20(10-9-19(2)3)24(22,23)15-12-13(17)11-14(18)16(15)21/h11-12,21H,4-10H2,1-3H3
InChIKeyRWJOLZFUDYUKAI-UHFFFAOYSA-N
MW397.37 g/mol
LogP3.83
Rot. Bonds10

About 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide (PubChem CID 54289316) has the molecular formula C16H26Cl2N2O3S and a molecular weight of 397.37 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide
PubChem CID54289316
Molecular FormulaC16H26Cl2N2O3S
Molecular Weight397.37 g/mol
Exact Mass396.10
IUPAC Name3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide
SMILESCCCCCCN(CCN(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H26Cl2N2O3S/c1-4-5-6-7-8-20(10-9-19(2)3)24(22,23)15-12-13(17)11-14(18)16(15)21/h11-12,21H,4-10H2,1-3H3
InChIKeyRWJOLZFUDYUKAI-UHFFFAOYSA-N
XLogP3.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
N-(2-bromoethyl)-N-butyl-2,5-dichlorobenzenesulfonamide
CID 80669261
3,5-dichloro-N-(4-chlorophenyl)-2-hydroxy-N-methylbenzenesulfonamide
CID 4985281
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
N,N-dibutyl-5-chloro-2-nitrobenzenesulfonamide
CID 7574217
2,4-dichloro-6-[[2-(dimethylamino)ethyl-propylamino]methyl]phenol
CID 82978878
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
3,5-Dichloro-2-hydroxybenzenesulfonic acid disodium salt
CID 87271498
N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide
CID 146545797
N-[[4-(aminomethyl)phenyl]methyl]-3,5-dichloro-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 58531430

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide (CID 54289316) is 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide is CCCCCCN(CCN(C)C)S(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide?
The InChIKey is RWJOLZFUDYUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26Cl2N2O3S/c1-4-5-6-7-8-20(10-9-19(2)3)24(22,23)15-12-13(17)11-14(18)16(15)21/h11-12,21H,4-10H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide has a molecular weight of 397.37 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(dimethylamino)ethyl]-N-hexyl-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 54289316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).