2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide

C19H31Cl2NO2S — CID 59079350

IUPAC2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C19H31Cl2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-22-25(23,24)19-15-17(20)16(2)14-18(19)21/h14-15,22H,3-13H2,1-2H3
InChIKeyMVOINUKDXVPBNY-UHFFFAOYSA-N
MW408.44 g/mol
LogP6.50
Rot. Bonds13

About 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide

2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide (PubChem CID 59079350) has the molecular formula C19H31Cl2NO2S and a molecular weight of 408.44 g/mol. Its IUPAC name is 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
PubChem CID59079350
Molecular FormulaC19H31Cl2NO2S
Molecular Weight408.44 g/mol
Exact Mass407.15
IUPAC Name2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
SMILESCCCCCCCCCCCCNS(=O)(=O)c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C19H31Cl2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-22-25(23,24)19-15-17(20)16(2)14-18(19)21/h14-15,22H,3-13H2,1-2H3
InChIKeyMVOINUKDXVPBNY-UHFFFAOYSA-N
XLogP6.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide 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

4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
2,4-dichloro-5-(hexylsulfamoyl)benzoic acid
CID 43237922
4-chloro-N-hexyl-2-methyl-5-nitrobenzenesulfonamide
CID 81041576
4-amino-N-butyl-2,5-dichlorobenzenesulfonamide
CID 70634654
5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
CID 106058220
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164
3-amino-4-bromo-5-chloro-2-fluoro-N-hexylbenzenesulfonamide
CID 103077353
N-butyl-2,7-dichloro-4-methylquinoline-6-sulfonamide
CID 99978040

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide (CID 59079350) is 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide is CCCCCCCCCCCCNS(=O)(=O)c1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide?
The InChIKey is MVOINUKDXVPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31Cl2NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-22-25(23,24)19-15-17(20)16(2)14-18(19)21/h14-15,22H,3-13H2,1-2H3.
What are the key properties of 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide?
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide has a molecular weight of 408.44 g/mol, XLogP of 6.50, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 59079350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).