4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide

C11H12Cl2N2O2S — CID 116815564

IUPAC4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)CCCCCl
InChIInChI=1S/C11H12Cl2N2O2S/c12-5-1-2-6-18(16,17)15-11-7-10(13)4-3-9(11)8-14/h3-4,7,15H,1-2,5-6H2
InChIKeyXGKOPICNYQVRDW-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.97
Rot. Bonds6

About 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide

4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide (PubChem CID 116815564) has the molecular formula C11H12Cl2N2O2S and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide
PubChem CID116815564
Molecular FormulaC11H12Cl2N2O2S
Molecular Weight307.20 g/mol
Exact Mass306.00
IUPAC Name4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide
SMILESN#Cc1ccc(Cl)cc1NS(=O)(=O)CCCCCl
InChIInChI=1S/C11H12Cl2N2O2S/c12-5-1-2-6-18(16,17)15-11-7-10(13)4-3-9(11)8-14/h3-4,7,15H,1-2,5-6H2
InChIKeyXGKOPICNYQVRDW-UHFFFAOYSA-N
XLogP2.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061
3-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911470
4-chloro-N-[4-cyano-2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 116815082
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide
CID 106338134
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypropane-1-sulfonamide
CID 81280257
2-amino-N-(5-chloro-2-cyanophenyl)pyridine-4-sulfonamide
CID 64920454
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
4-chloro-2-(2-propylsulfonylethylamino)benzonitrile
CID 106723842
5-chloro-N-(5-chloro-2-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 61051415
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide (CID 116815564) is 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide is N#Cc1ccc(Cl)cc1NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide?
The InChIKey is XGKOPICNYQVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2S/c12-5-1-2-6-18(16,17)15-11-7-10(13)4-3-9(11)8-14/h3-4,7,15H,1-2,5-6H2.
What are the key properties of 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide?
4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide has a molecular weight of 307.20 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide is sourced from PubChem (CID 116815564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).