4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide

C16H18ClNO2S — CID 116814969

IUPAC4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18ClNO2S/c17-12-4-5-13-21(19,20)18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13H2
InChIKeyVMOBAEQVVTXLIP-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.11
Rot. Bonds7

About 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide

4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide (PubChem CID 116814969) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
PubChem CID116814969
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H18ClNO2S/c17-12-4-5-13-21(19,20)18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13H2
InChIKeyVMOBAEQVVTXLIP-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenylbutane-1-sulfonamide
CID 116814759
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)butane-1-sulfonamide
CID 116814888
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
4-(4-chlorobutylsulfonylamino)-N-prop-2-enylbenzamide
CID 116815862
3-bromo-N-phenylpropane-1-sulfonamide
CID 118418114
4-chloro-N-(3,4,5-trifluorophenyl)butane-1-sulfonamide
CID 116816137

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide (CID 116814969) is 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide?
The InChIKey is VMOBAEQVVTXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c17-12-4-5-13-21(19,20)18-16-10-8-15(9-11-16)14-6-2-1-3-7-14/h1-3,6-11,18H,4-5,12-13H2.
What are the key properties of 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide?
4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-phenylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 116814969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).