N-(4-bromobutyl)benzenesulfonamide

C10H14BrNO2S — CID 106846700

IUPACN-(4-bromobutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCBr)c1ccccc1
InChIInChI=1S/C10H14BrNO2S/c11-8-4-5-9-12-15(13,14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyZNTQYOSXHJWHHD-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.14
Rot. Bonds6

About N-(4-bromobutyl)benzenesulfonamide

N-(4-bromobutyl)benzenesulfonamide (PubChem CID 106846700) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(4-bromobutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromobutyl)benzenesulfonamide
PubChem CID106846700
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-(4-bromobutyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCBr)c1ccccc1
InChIInChI=1S/C10H14BrNO2S/c11-8-4-5-9-12-15(13,14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2
InChIKeyZNTQYOSXHJWHHD-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.14
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-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-tridecylbenzenesulfonamide
CID 3514704
N-[4-(phenylsulfanylamino)butyl]benzenesulfonamide
CID 163657424
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
CID 11584206
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)benzenesulfonamide?
The IUPAC name of N-(4-bromobutyl)benzenesulfonamide (CID 106846700) is N-(4-bromobutyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromobutyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromobutyl)benzenesulfonamide is O=S(=O)(NCCCCBr)c1ccccc1.
What is the InChIKey of N-(4-bromobutyl)benzenesulfonamide?
The InChIKey is ZNTQYOSXHJWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c11-8-4-5-9-12-15(13,14)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2.
What are the key properties of N-(4-bromobutyl)benzenesulfonamide?
N-(4-bromobutyl)benzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)benzenesulfonamide is sourced from PubChem (CID 106846700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).