N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide

C10H14Cl2N2O2S — CID 63730553

IUPACN-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-2-9(13)6-14-17(15,16)10-4-7(11)3-8(12)5-10/h3-5,9,14H,2,6,13H2,1H3
InChIKeyJLMPXRLFRBFQCL-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.01
Rot. Bonds5

About N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide

N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide (PubChem CID 63730553) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
PubChem CID63730553
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC NameN-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H14Cl2N2O2S/c1-2-9(13)6-14-17(15,16)10-4-7(11)3-8(12)5-10/h3-5,9,14H,2,6,13H2,1H3
InChIKeyJLMPXRLFRBFQCL-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
N-(2-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63730781
N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
CID 114298130
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-(2-aminobutyl)-4-methyl-3-nitrobenzenesulfonamide
CID 63731169
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 67276344
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
CID 63731804

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide (CID 63730553) is N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide is CCC(N)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide?
The InChIKey is JLMPXRLFRBFQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-2-9(13)6-14-17(15,16)10-4-7(11)3-8(12)5-10/h3-5,9,14H,2,6,13H2,1H3.
What are the key properties of N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide?
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 63730553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).