N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide

C10H11BrCl2FNO2S — CID 103089670

IUPACN-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H11BrCl2FNO2S/c1-6(11)5-15(2)18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4,6H,5H2,1-2H3
InChIKeyCISJMPLDRJDFIV-UHFFFAOYSA-N
MW379.08 g/mol
LogP3.54
Rot. Bonds4

About N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide

N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103089670) has the molecular formula C10H11BrCl2FNO2S and a molecular weight of 379.08 g/mol. Its IUPAC name is N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103089670
Molecular FormulaC10H11BrCl2FNO2S
Molecular Weight379.08 g/mol
Exact Mass376.91
IUPAC NameN-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
SMILESCC(Br)CN(C)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H11BrCl2FNO2S/c1-6(11)5-15(2)18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4,6H,5H2,1-2H3
InChIKeyCISJMPLDRJDFIV-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.08
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 114230859
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
2,4-dichloro-N-(2-cyanoethyl)-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103088037
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
2,4-dichloro-3-fluorobenzenesulfonyl chloride
CID 56604728
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089842
N-(2-bromo-4,4-dimethylpentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107158110
4-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methylbenzenesulfonamide
CID 115611951
2,4-dichloro-3-fluoro-N-methyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99858909

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide (CID 103089670) is N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide is CC(Br)CN(C)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is CISJMPLDRJDFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrCl2FNO2S/c1-6(11)5-15(2)18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 379.08 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103089670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).