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

C10H11Cl3FNO2S — CID 114230859

IUPAC2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCCl)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H11Cl3FNO2S/c1-15(6-2-5-11)18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4H,2,5-6H2,1H3
InChIKeyPAWSNXYYCCCGJT-UHFFFAOYSA-N
MW334.63 g/mol
LogP3.38
Rot. Bonds5

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

2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 114230859) has the molecular formula C10H11Cl3FNO2S and a molecular weight of 334.63 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID114230859
Molecular FormulaC10H11Cl3FNO2S
Molecular Weight334.63 g/mol
Exact Mass332.96
IUPAC Name2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCCl)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H11Cl3FNO2S/c1-15(6-2-5-11)18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4H,2,5-6H2,1H3
InChIKeyPAWSNXYYCCCGJT-UHFFFAOYSA-N
XLogP3.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.63
LogP ≤ 53.38
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

N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089670
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
2,4-dichloro-3-fluorobenzenesulfonyl chloride
CID 56604728
N-(4-aminocyclohexyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089103
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
2-[(2,4-dichloro-3-fluorophenyl)sulfonyl-propylamino]ethanethioamide
CID 103088140
2,4-dichloro-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 91662378
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
N-(3-chloropropyl)-6-fluoro-N-methylpyridine-2-sulfonamide
CID 15729624

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide (CID 114230859) is 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide is CN(CCCCl)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is PAWSNXYYCCCGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3FNO2S/c1-15(6-2-5-11)18(16,17)8-4-3-7(12)10(14)9(8)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide?
2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 334.63 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-chloropropyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 114230859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).