N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide

C12H16ClFN2O2S — CID 106029188

IUPACN-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c13-11-8-9(14)2-5-12(11)16-19(17,18)7-1-6-15-10-3-4-10/h2,5,8,10,15-16H,1,3-4,6-7H2
InChIKeyOTWNJGNKERWNNH-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.36
Rot. Bonds7

About N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide

N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide (PubChem CID 106029188) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
PubChem CID106029188
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2S/c13-11-8-9(14)2-5-12(11)16-19(17,18)7-1-6-15-10-3-4-10/h2,5,8,10,15-16H,1,3-4,6-7H2
InChIKeyOTWNJGNKERWNNH-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
N-(5-chloro-2-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106031181
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-(2-bromo-5-chlorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106073353
N-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948
N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
3-(cyclopropylamino)-N-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide (CID 106029188) is N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide is O=S(=O)(CCCNC1CC1)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
The InChIKey is OTWNJGNKERWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-11-8-9(14)2-5-12(11)16-19(17,18)7-1-6-15-10-3-4-10/h2,5,8,10,15-16H,1,3-4,6-7H2.
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide?
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide has a molecular weight of 306.79 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propane-1-sulfonamide is sourced from PubChem (CID 106029188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).