N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride

C10H13ClF3N3O2S — CID 120707588

IUPACN-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O2S.ClH/c11-10(12,13)9-2-1-8(6-15-9)19(17,18)16-7-3-4-14-5-7;/h1-2,6-7,14,16H,3-5H2;1H
InChIKeyWELXZGMIYHJIFL-UHFFFAOYSA-N
MW331.75 g/mol
LogP1.16
Rot. Bonds3

About N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride

N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride (PubChem CID 120707588) has the molecular formula C10H13ClF3N3O2S and a molecular weight of 331.75 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
PubChem CID120707588
Molecular FormulaC10H13ClF3N3O2S
Molecular Weight331.75 g/mol
Exact Mass331.04
IUPAC NameN-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O2S.ClH/c11-10(12,13)9-2-1-8(6-15-9)19(17,18)16-7-3-4-14-5-7;/h1-2,6-7,14,16H,3-5H2;1H
InChIKeyWELXZGMIYHJIFL-UHFFFAOYSA-N
XLogP1.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120722916
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707592
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
CID 119964581
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
6-nitro-N-[(3S)-piperidin-3-yl]pyridine-3-sulfonamide
CID 104982564
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120721488

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride (CID 120707588) is N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride?
The InChIKey is WELXZGMIYHJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S.ClH/c11-10(12,13)9-2-1-8(6-15-9)19(17,18)16-7-3-4-14-5-7;/h1-2,6-7,14,16H,3-5H2;1H.
What are the key properties of N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride?
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride has a molecular weight of 331.75 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120707588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).