N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide

C11H14ClF3N2O2S — CID 115319032

IUPACN-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H14ClF3N2O2S/c1-17(6-2-5-16)20(18,19)10-7-8(11(13,14)15)3-4-9(10)12/h3-4,7H,2,5-6,16H2,1H3
InChIKeyZTZLQCDTOMUDHQ-UHFFFAOYSA-N
MW330.76 g/mol
LogP2.33
Rot. Bonds5

About N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide

N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 115319032) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID115319032
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC NameN-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(CCCN)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H14ClF3N2O2S/c1-17(6-2-5-16)20(18,19)10-7-8(11(13,14)15)3-4-9(10)12/h3-4,7H,2,5-6,16H2,1H3
InChIKeyZTZLQCDTOMUDHQ-UHFFFAOYSA-N
XLogP2.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-chloro-4-(trifluoromethyl)benzene
CID 106003027
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
2-chloro-N-[2-(diethylamino)ethyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide
CID 3528675
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428
2-chloro-N-(2-hydroxyethyl)-N-pentyl-5-(trifluoromethyl)benzenesulfonamide
CID 74229500
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
N-(4-bromo-2-fluorophenyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 60580518
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide (CID 115319032) is N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide is CN(CCCN)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZTZLQCDTOMUDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S/c1-17(6-2-5-16)20(18,19)10-7-8(11(13,14)15)3-4-9(10)12/h3-4,7H,2,5-6,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 330.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 115319032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).