N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride

C12H16ClF3N2O2S — CID 120716651

IUPACN-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2S.ClH/c13-12(14,15)9-3-5-11(6-4-9)20(18,19)17-10-2-1-7-16-8-10;/h3-6,10,16-17H,1-2,7-8H2;1H/t10-;/m0./s1
InChIKeyCDHMOYPNEHGYFE-PPHPATTJSA-N
MW344.79 g/mol
LogP2.16
Rot. Bonds3

About N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 120716651) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID120716651
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC NameN-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(N[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2S.ClH/c13-12(14,15)9-3-5-11(6-4-9)20(18,19)17-10-2-1-7-16-8-10;/h3-6,10,16-17H,1-2,7-8H2;1H/t10-;/m0./s1
InChIKeyCDHMOYPNEHGYFE-PPHPATTJSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 119964581
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 120716651) is N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(N[C@H]1CCCNC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CDHMOYPNEHGYFE-PPHPATTJSA-N. The full InChI is InChI=1S/C12H15F3N2O2S.ClH/c13-12(14,15)9-3-5-11(6-4-9)20(18,19)17-10-2-1-7-16-8-10;/h3-6,10,16-17H,1-2,7-8H2;1H/t10-;/m0./s1.
What are the key properties of N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).