N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide

C13H17ClFNO2S — CID 126783845

IUPACN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide
SMILESCC(C)C(NS(=O)(=O)C1CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO2S/c1-8(2)13(16-19(17,18)10-4-5-10)11-6-3-9(14)7-12(11)15/h3,6-8,10,13,16H,4-5H2,1-2H3
InChIKeyPQHRTOPGGRWXNJ-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.26
Rot. Bonds5

About N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide

N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide (PubChem CID 126783845) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide
PubChem CID126783845
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide
SMILESCC(C)C(NS(=O)(=O)C1CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H17ClFNO2S/c1-8(2)13(16-19(17,18)10-4-5-10)11-6-3-9(14)7-12(11)15/h3,6-8,10,13,16H,4-5H2,1-2H3
InChIKeyPQHRTOPGGRWXNJ-UHFFFAOYSA-N
XLogP3.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-4-hydroxyoxolane-3-sulfonamide
CID 166332057
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-1-(oxolan-3-yl)methanesulfonamide
CID 75519267
(1S)-1-(4-chloro-2-fluorophenyl)-2-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 99820749
1-(4-chloro-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105022658
2-[[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetic acid
CID 99784125
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568535
1-[(1S)-1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-3-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]urea
CID 124568534
1-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122009563
1-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122009567
2-acetamido-N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]acetamide
CID 75501534
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide (CID 126783845) is N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide is CC(C)C(NS(=O)(=O)C1CC1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide?
The InChIKey is PQHRTOPGGRWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-8(2)13(16-19(17,18)10-4-5-10)11-6-3-9(14)7-12(11)15/h3,6-8,10,13,16H,4-5H2,1-2H3.
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide?
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide has a molecular weight of 305.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]cyclopropanesulfonamide is sourced from PubChem (CID 126783845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).