N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide

C11H16Cl2N2O2S — CID 106030648

IUPACN-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-14-7-2-3-8-18(16,17)15-10-6-4-5-9(12)11(10)13/h4-6,14-15H,2-3,7-8H2,1H3
InChIKeyIUYJXIXCVOVRQK-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.73
Rot. Bonds7

About N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide

N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106030648) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106030648
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC NameN-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-14-7-2-3-8-18(16,17)15-10-6-4-5-9(12)11(10)13/h4-6,14-15H,2-3,7-8H2,1H3
InChIKeyIUYJXIXCVOVRQK-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
4-(methylamino)-N-[2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 106057256
N-(2-chloro-3-methylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114250580
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106057660
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
N-(2,3-dichlorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106030674
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
4-(methylamino)-N-(2-methylquinolin-4-yl)butane-1-sulfonamide
CID 106057837

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide (CID 106030648) is N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is IUYJXIXCVOVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-14-7-2-3-8-18(16,17)15-10-6-4-5-9(12)11(10)13/h4-6,14-15H,2-3,7-8H2,1H3.
What are the key properties of N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106030648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).