2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide

C11H13Cl2FN2O2S — CID 103088944

IUPAC2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCNC1CC1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H13Cl2FN2O2S/c12-8-3-4-9(10(13)11(8)14)19(17,18)16-6-5-15-7-1-2-7/h3-4,7,15-16H,1-2,5-6H2
InChIKeyNKWWKSYRIFLESX-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.16
Rot. Bonds6

About 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide

2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 103088944) has the molecular formula C11H13Cl2FN2O2S and a molecular weight of 327.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
PubChem CID103088944
Molecular FormulaC11H13Cl2FN2O2S
Molecular Weight327.21 g/mol
Exact Mass326.01
IUPAC Name2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCNC1CC1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H13Cl2FN2O2S/c12-8-3-4-9(10(13)11(8)14)19(17,18)16-6-5-15-7-1-2-7/h3-4,7,15-16H,1-2,5-6H2
InChIKeyNKWWKSYRIFLESX-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089145
2,4-dichloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 103088990
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 103088583
4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]butanethioamide
CID 103088149
(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215117
N-[2-(cyclopropylamino)ethyl]-2-fluoro-4-nitrobenzenesulfonamide
CID 62664624

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide (CID 103088944) is 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCCNC1CC1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is NKWWKSYRIFLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O2S/c12-8-3-4-9(10(13)11(8)14)19(17,18)16-6-5-15-7-1-2-7/h3-4,7,15-16H,1-2,5-6H2.
What are the key properties of 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide?
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 327.21 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103088944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).