N-butyl-3,4-dichlorobenzenesulfonamide

C10H13Cl2NO2S — CID 2982646

IUPACN-butyl-3,4-dichlorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2S/c1-2-3-6-13-16(14,15)8-4-5-9(11)10(12)7-8/h4-5,7,13H,2-3,6H2,1H3
InChIKeyRTUFXDJWAWGVKL-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.07
Rot. Bonds5

About N-butyl-3,4-dichlorobenzenesulfonamide

N-butyl-3,4-dichlorobenzenesulfonamide (PubChem CID 2982646) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is N-butyl-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3,4-dichlorobenzenesulfonamide
PubChem CID2982646
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC NameN-butyl-3,4-dichlorobenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2S/c1-2-3-6-13-16(14,15)8-4-5-9(11)10(12)7-8/h4-5,7,13H,2-3,6H2,1H3
InChIKeyRTUFXDJWAWGVKL-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.07
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

3,4-Dichlorobenzenesulfonamide
CID 233097
4-Chloro-N-methylbenzenesulfonamide
CID 232992
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
4-chloro-N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
CID 2805890
4-chloro-N-cyclopropylbenzenesulfonamide
CID 847957
3,4-dichloro-N,N-dimethylbenzenesulfonamide
CID 4176410
4-Chloro-n-propylbenzenesulfonamide
CID 101302
4-Chloro-N-(2-chloro-2-cyanoethyl)benzenesulfonamide
CID 574193
4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 965272
3,4-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 2100240
[3-[(3,4-Dichlorophenyl)sulfonylamino]-2,2-dimethylpropyl]-dimethylazanium chloride
CID 16196391

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-butyl-3,4-dichlorobenzenesulfonamide (CID 2982646) is N-butyl-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-butyl-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-butyl-3,4-dichlorobenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-butyl-3,4-dichlorobenzenesulfonamide?
The InChIKey is RTUFXDJWAWGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-2-3-6-13-16(14,15)8-4-5-9(11)10(12)7-8/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of N-butyl-3,4-dichlorobenzenesulfonamide?
N-butyl-3,4-dichlorobenzenesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 2982646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).