N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

C10H13BrFNO2S — CID 114294312

IUPACN-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)CBr
InChIInChI=1S/C10H13BrFNO2S/c1-7-3-4-9(12)5-10(7)16(14,15)13-8(2)6-11/h3-5,8,13H,6H2,1-2H3
InChIKeyAZZXZNZSUYDZNH-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.20
Rot. Bonds4

About N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 114294312) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID114294312
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)CBr
InChIInChI=1S/C10H13BrFNO2S/c1-7-3-4-9(12)5-10(7)16(14,15)13-8(2)6-11/h3-5,8,13H,6H2,1-2H3
InChIKeyAZZXZNZSUYDZNH-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400691
N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 83178892
N-(1-bromobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114298374
(2R)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010727
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
(2S)-4-amino-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61141616
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
(2S)-2-[(5-fluoro-2-methylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173809
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
N-[3-(bromomethyl)pentan-3-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 114294064

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 114294312) is N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is AZZXZNZSUYDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-7-3-4-9(12)5-10(7)16(14,15)13-8(2)6-11/h3-5,8,13H,6H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 114294312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).