N-(4-fluorobutyl)-4-methylbenzenesulfonamide

C11H16FNO2S — CID 10933762

IUPACN-(4-fluorobutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCF)cc1
InChIInChI=1S/C11H16FNO2S/c1-10-4-6-11(7-5-10)16(14,15)13-9-3-2-8-12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyBBRQUJXVGDORQP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.02
Rot. Bonds6

About N-(4-fluorobutyl)-4-methylbenzenesulfonamide

N-(4-fluorobutyl)-4-methylbenzenesulfonamide (PubChem CID 10933762) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(4-fluorobutyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorobutyl)-4-methylbenzenesulfonamide
PubChem CID10933762
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-(4-fluorobutyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCF)cc1
InChIInChI=1S/C11H16FNO2S/c1-10-4-6-11(7-5-10)16(14,15)13-9-3-2-8-12/h4-7,13H,2-3,8-9H2,1H3
InChIKeyBBRQUJXVGDORQP-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
CID 174270268
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobutyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluorobutyl)-4-methylbenzenesulfonamide (CID 10933762) is N-(4-fluorobutyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorobutyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorobutyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCF)cc1.
What is the InChIKey of N-(4-fluorobutyl)-4-methylbenzenesulfonamide?
The InChIKey is BBRQUJXVGDORQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-10-4-6-11(7-5-10)16(14,15)13-9-3-2-8-12/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of N-(4-fluorobutyl)-4-methylbenzenesulfonamide?
N-(4-fluorobutyl)-4-methylbenzenesulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10933762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).