N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C18H17ClF3N3O4S — CID 69193710

IUPACN-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H]1COCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O4S/c1-11-10-29-6-5-25(11)17(26)16-15(8-13(19)9-23-16)24-30(27,28)14-4-2-3-12(7-14)18(20,21)22/h2-4,7-9,11,24H,5-6,10H2,1H3/t11-/m1/s1
InChIKeySVACDGBMPQTMJS-LLVKDONJSA-N
MW463.87 g/mol
LogP3.42
Rot. Bonds4

About N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 69193710) has the molecular formula C18H17ClF3N3O4S and a molecular weight of 463.87 g/mol. Its IUPAC name is N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID69193710
Molecular FormulaC18H17ClF3N3O4S
Molecular Weight463.87 g/mol
Exact Mass463.06
IUPAC NameN-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H]1COCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3N3O4S/c1-11-10-29-6-5-25(11)17(26)16-15(8-13(19)9-23-16)24-30(27,28)14-4-2-3-12(7-14)18(20,21)22/h2-4,7-9,11,24H,5-6,10H2,1H3/t11-/m1/s1
InChIKeySVACDGBMPQTMJS-LLVKDONJSA-N
XLogP3.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
4-chloro-N-[5-chloro-2-(3-methylmorpholine-4-carbonyl)-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-(methoxymethyl)amino]pyridine-2-carboxylic acid;methane
CID 157216106
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
CID 97257785
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate
CID 58268147
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]benzenesulfonamide
CID 2325867
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
4-chloro-N-[5-methyl-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-chloro-2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[2-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-5-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 158918228

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 69193710) is N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is C[C@@H]1COCCN1C(=O)c1ncc(Cl)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SVACDGBMPQTMJS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17ClF3N3O4S/c1-11-10-29-6-5-25(11)17(26)16-15(8-13(19)9-23-16)24-30(27,28)14-4-2-3-12(7-14)18(20,21)22/h2-4,7-9,11,24H,5-6,10H2,1H3/t11-/m1/s1.
What are the key properties of N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 463.87 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69193710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).