N-propyl-4-(trifluoromethyl)benzenesulfonamide

C10H12F3NO2S — CID 43212868

IUPACN-propyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2S/c1-2-7-14-17(15,16)9-5-3-8(4-6-9)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyVJELPUUKYXNUKC-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.39
Rot. Bonds4

About N-propyl-4-(trifluoromethyl)benzenesulfonamide

N-propyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 43212868) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-propyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-propyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID43212868
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC NameN-propyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO2S/c1-2-7-14-17(15,16)9-5-3-8(4-6-9)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyVJELPUUKYXNUKC-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-3-ynyl-4-(trifluoromethyl)benzenesulfonamide
CID 90538003
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 121074817
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-propyl-4-(trifluoromethyl)benzenesulfonamide (CID 43212868) is N-propyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-propyl-4-(trifluoromethyl)benzenesulfonamide is CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VJELPUUKYXNUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-7-14-17(15,16)9-5-3-8(4-6-9)10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-propyl-4-(trifluoromethyl)benzenesulfonamide?
N-propyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43212868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).