N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide

C10H13BrFNO2S — CID 43167190

IUPACN-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCCCBr
InChIInChI=1S/C10H13BrFNO2S/c1-8-3-4-9(12)7-10(8)16(14,15)13-6-2-5-11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyOOAVXKCPDJYUAK-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.20
Rot. Bonds5

About N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide

N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 43167190) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID43167190
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCCCBr
InChIInChI=1S/C10H13BrFNO2S/c1-8-3-4-9(12)7-10(8)16(14,15)13-6-2-5-11/h3-4,7,13H,2,5-6H2,1H3
InChIKeyOOAVXKCPDJYUAK-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.20
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

5-fluoro-N-hex-5-ynyl-2-methylbenzenesulfonamide
CID 113255940
5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76953333
5-fluoro-2-methyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628679
N-[2-(bromomethyl)-2-ethylbutyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106256050
N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114294312
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
5-fluoro-N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylbenzenesulfonamide
CID 3682827

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide (CID 43167190) is N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is OOAVXKCPDJYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-8-3-4-9(12)7-10(8)16(14,15)13-6-2-5-11/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43167190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).