1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide

C21H24N4O3S — CID 127024950

IUPAC1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CN(CCOc3ccccc3-c3ccccc3)C2)cn1
InChIInChI=1S/C21H24N4O3S/c1-24-16-19(13-22-24)29(26,27)23-18-14-25(15-18)11-12-28-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-10,13,16,18,23H,11-12,14-15H2,1H3
InChIKeyQJIYMWVGOGXPNR-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.13
Rot. Bonds8

About 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide

1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 127024950) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide
PubChem CID127024950
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CN(CCOc3ccccc3-c3ccccc3)C2)cn1
InChIInChI=1S/C21H24N4O3S/c1-24-16-19(13-22-24)29(26,27)23-18-14-25(15-18)11-12-28-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-10,13,16,18,23H,11-12,14-15H2,1H3
InChIKeyQJIYMWVGOGXPNR-UHFFFAOYSA-N
XLogP2.13
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(1-amino-3-phenylpropan-2-yl)-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56642611
N-[2-[3-(3-benzylazetidin-3-yl)phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56835900
N-[2-[3-(3-benzylpyrrolidin-3-yl)phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836034
N-[2-[3-(3-benzyl-1-methylpiperidin-3-yl)phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836102
N-[2-[3-(1-amino-3-phenylpropan-2-yl)phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836522
N-[2-[3-[1-amino-3-(3,5-difluorophenyl)propan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836523
N-[2-[3-[1-amino-3-[3-(trifluoromethyl)phenyl]propan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836591
N-[2-[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836748
N-[2-[3-[1-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836828
N-[2-[5-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836831
N-[2-[3-[1-(dimethylamino)-3-phenylpropan-2-yl]-4-fluorophenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836833
1-methyl-N-[2-[3-(1-phenyl-3-pyrrolidin-1-ylpropan-2-yl)phenoxy]ethyl]pyrazole-4-sulfonamide
CID 56836901

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide (CID 127024950) is 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC2CN(CCOc3ccccc3-c3ccccc3)C2)cn1.
What is the InChIKey of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is QJIYMWVGOGXPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-24-16-19(13-22-24)29(26,27)23-18-14-25(15-18)11-12-28-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-10,13,16,18,23H,11-12,14-15H2,1H3.
What are the key properties of 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide?
1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]azetidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 127024950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).