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

C10H13Cl2FN2O2S — CID 103089181

IUPACN-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H13Cl2FN2O2S/c1-15(6-2-5-14)18(16,17)8-4-3-7(11)10(13)9(8)12/h3-4H,2,5-6,14H2,1H3
InChIKeyCNTDGCCMFPROMC-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.10
Rot. Bonds5

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

N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 103089181) has the molecular formula C10H13Cl2FN2O2S and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
PubChem CID103089181
Molecular FormulaC10H13Cl2FN2O2S
Molecular Weight315.20 g/mol
Exact Mass314.01
IUPAC NameN-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C10H13Cl2FN2O2S/c1-15(6-2-5-14)18(16,17)8-4-3-7(11)10(13)9(8)12/h3-4H,2,5-6,14H2,1H3
InChIKeyCNTDGCCMFPROMC-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089670
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115319032
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2,4-dichloro-N,N-diethyl-3-fluorobenzenesulfonamide
CID 103087908
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
2,4-dichloro-3-fluoro-N-methoxy-N-methylbenzenesulfonamide
CID 103087901
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(3-aminopropyl)-4-chloro-N-methyl-2-nitrobenzenesulfonamide
CID 115319044
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide (CID 103089181) is N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide is CN(CCCN)S(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is CNTDGCCMFPROMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2FN2O2S/c1-15(6-2-5-14)18(16,17)8-4-3-7(11)10(13)9(8)12/h3-4H,2,5-6,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide?
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 315.20 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 103089181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).