N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide

C12H16ClFN2O2S — CID 115307924

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCC(CN)(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1
InChIInChI=1S/C12H16ClFN2O2S/c1-12(7-15,8-2-3-8)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,2-3,7,15H2,1H3
InChIKeyDSOQAWUFDCOZRN-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.88
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 115307924) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
PubChem CID115307924
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCC(CN)(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1
InChIInChI=1S/C12H16ClFN2O2S/c1-12(7-15,8-2-3-8)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,2-3,7,15H2,1H3
InChIKeyDSOQAWUFDCOZRN-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-2-cyclopropylpropan-2-yl]-2-chloro-4-methylbenzenesulfonamide
CID 97325646
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 119981715
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide
CID 63888195
N-[3-(aminomethyl)pentan-3-yl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119981346
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2-cyclopropylpropan-2-yl)-4-bromo-3-fluorobenzenesulfonamide;hydrochloride
CID 119981749
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120710372
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dibromobenzenesulfonamide
CID 115307839
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-(cyclopentylmethyl)-2-methylpropanamide
CID 154863576
N-(1-amino-2-cyclopropylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 115308023
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103100511
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-1-sulfonamide;hydrochloride
CID 119981674

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide (CID 115307924) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide is CC(CN)(NS(=O)(=O)c1ccc(Cl)cc1F)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is DSOQAWUFDCOZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c1-12(7-15,8-2-3-8)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,2-3,7,15H2,1H3.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 115307924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).