N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide

C10H14ClFN2O2S — CID 120710609

IUPACN-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H14ClFN2O2S/c1-7(6-13)14(2)17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3
InChIKeySPBOHZTVGPPNFV-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.45
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide

N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide (PubChem CID 120710609) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide
PubChem CID120710609
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC NameN-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H14ClFN2O2S/c1-7(6-13)14(2)17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3
InChIKeySPBOHZTVGPPNFV-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide
CID 119982528
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
N-(1-aminopropan-2-yl)-4-bromo-5-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 120710582
N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 86794996
N-(1-aminopropan-2-yl)-3,4,5-trifluoro-N-methylbenzenesulfonamide
CID 119982906
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119982725
N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120712551
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-nitrobenzenesulfonamide
CID 119982875
N-[(1S)-1-cyclopropylethyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 95588566
N-(1-chloropropan-2-yl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 104556498
N-(1-aminopropan-2-yl)-2-chloro-5-methoxy-N-methylbenzenesulfonamide
CID 119982572

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide (CID 120710609) is N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide is CC(CN)N(C)S(=O)(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
The InChIKey is SPBOHZTVGPPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-7(6-13)14(2)17(15,16)10-8(11)4-3-5-9(10)12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide?
N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-chloro-6-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 120710609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).