N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide

C11H16Cl2N2O2S — CID 114141118

IUPACN-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S/c1-14-4-2-3-5-18(16,17)15-11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3
InChIKeyGEWRHAVPLQDQGS-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.73
Rot. Bonds7

About N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide

N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 114141118) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID114141118
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC NameN-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2S/c1-14-4-2-3-5-18(16,17)15-11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3
InChIKeyGEWRHAVPLQDQGS-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

N-[3-chloro-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106083157
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-(3-bromo-4-chlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141645
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
N-(3-chloro-4-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106047989
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106057660
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
N-[3-(methoxymethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106002772
N-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
CID 119964749
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide (CID 114141118) is N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is GEWRHAVPLQDQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-14-4-2-3-5-18(16,17)15-11-7-9(12)6-10(13)8-11/h6-8,14-15H,2-5H2,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide?
N-(3,5-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-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 114141118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).