N-(2,4-dichlorophenyl)butane-1-sulfonamide

C10H13Cl2NO2S — CID 110757016

IUPACN-(2,4-dichlorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-2-3-6-16(14,15)13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyGAFRZJNTNYWFCV-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.54
Rot. Bonds5

About N-(2,4-dichlorophenyl)butane-1-sulfonamide

N-(2,4-dichlorophenyl)butane-1-sulfonamide (PubChem CID 110757016) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)butane-1-sulfonamide
PubChem CID110757016
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC NameN-(2,4-dichlorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-2-3-6-16(14,15)13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3
InChIKeyGAFRZJNTNYWFCV-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)butane-1-sulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)butane-1-sulfonamide (CID 110757016) is N-(2,4-dichlorophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)butane-1-sulfonamide?
The InChIKey is GAFRZJNTNYWFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-2-3-6-16(14,15)13-10-5-4-8(11)7-9(10)12/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of N-(2,4-dichlorophenyl)butane-1-sulfonamide?
N-(2,4-dichlorophenyl)butane-1-sulfonamide has a molecular weight of 282.19 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 110757016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).