N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

C17H18F3N3O5S — CID 66882820

IUPACN-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1nc(OC2CCNC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O5S/c1-26-16-14(6-7-15(22-16)27-12-8-9-21-10-12)23-29(24,25)13-4-2-11(3-5-13)28-17(18,19)20/h2-7,12,21,23H,8-10H2,1H3
InChIKeyKCGCZAAOVFIFJZ-UHFFFAOYSA-N
MW433.41 g/mol
LogP2.53
Rot. Bonds7

About N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 66882820) has the molecular formula C17H18F3N3O5S and a molecular weight of 433.41 g/mol. Its IUPAC name is N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID66882820
Molecular FormulaC17H18F3N3O5S
Molecular Weight433.41 g/mol
Exact Mass433.09
IUPAC NameN-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1nc(OC2CCNC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O5S/c1-26-16-14(6-7-15(22-16)27-12-8-9-21-10-12)23-29(24,25)13-4-2-11(3-5-13)28-17(18,19)20/h2-7,12,21,23H,8-10H2,1H3
InChIKeyKCGCZAAOVFIFJZ-UHFFFAOYSA-N
XLogP2.53
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(4-pyrrolidin-3-yloxynaphthalen-1-yl)benzenesulfonamide;hydrochloride
CID 67156366
N-methyl-4-pyrrolidin-3-yloxybenzenesulfonamide
CID 62348367
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
4-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563364
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-(4-methoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977148
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90635040

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 66882820) is N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is COc1nc(OC2CCNC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is KCGCZAAOVFIFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O5S/c1-26-16-14(6-7-15(22-16)27-12-8-9-21-10-12)23-29(24,25)13-4-2-11(3-5-13)28-17(18,19)20/h2-7,12,21,23H,8-10H2,1H3.
What are the key properties of N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 433.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-pyrrolidin-3-yloxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 66882820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).