N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide

C11H15BrClNO2S — CID 116815160

IUPACN-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrClNO2S/c12-11-5-3-10(4-6-11)9-14-17(15,16)8-2-1-7-13/h3-6,14H,1-2,7-9H2
InChIKeyUHCDLLOYNKQUIM-UHFFFAOYSA-N
MW340.67 g/mol
LogP2.89
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide

N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide (PubChem CID 116815160) has the molecular formula C11H15BrClNO2S and a molecular weight of 340.67 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
PubChem CID116815160
Molecular FormulaC11H15BrClNO2S
Molecular Weight340.67 g/mol
Exact Mass338.97
IUPAC NameN-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrClNO2S/c12-11-5-3-10(4-6-11)9-14-17(15,16)8-2-1-7-13/h3-6,14H,1-2,7-9H2
InChIKeyUHCDLLOYNKQUIM-UHFFFAOYSA-N
XLogP2.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.67
LogP ≤ 52.89
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

N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
CID 63665760
3-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]propane-1-sulfonamide
CID 107232812
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016
methyl 4-[(4-bromophenyl)methylsulfamoyl]butanoate
CID 61457335
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
4-chloro-N-[(3-fluorophenyl)methyl]butane-1-sulfonamide
CID 116815181
methyl 4-[(3-chloropropylsulfonylamino)methyl]benzoate
CID 43654228
4-chloro-N-(2,4-dibromophenyl)butane-1-sulfonamide
CID 116815572
2-chloro-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 107651829
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]butane-1-sulfonamide
CID 105055848
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide (CID 116815160) is N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide is O=S(=O)(CCCCCl)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide?
The InChIKey is UHCDLLOYNKQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO2S/c12-11-5-3-10(4-6-11)9-14-17(15,16)8-2-1-7-13/h3-6,14H,1-2,7-9H2.
What are the key properties of N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide?
N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide has a molecular weight of 340.67 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide is sourced from PubChem (CID 116815160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).