N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide

C13H14F3N3O4S — CID 87027324

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O4S/c1-22-7-6-19-9-10(8-17-19)18-24(20,21)12-4-2-11(3-5-12)23-13(14,15)16/h2-5,8-9,18H,6-7H2,1H3
InChIKeyARPKNIIFJDBKDR-UHFFFAOYSA-N
MW365.33 g/mol
LogP2.23
Rot. Bonds7

About N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 87027324) has the molecular formula C13H14F3N3O4S and a molecular weight of 365.33 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID87027324
Molecular FormulaC13H14F3N3O4S
Molecular Weight365.33 g/mol
Exact Mass365.07
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H14F3N3O4S/c1-22-7-6-19-9-10(8-17-19)18-24(20,21)12-4-2-11(3-5-12)23-13(14,15)16/h2-5,8-9,18H,6-7H2,1H3
InChIKeyARPKNIIFJDBKDR-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 3346091
CID 3346091
CID 31912961
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CID 45822310
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CID 56802965
CID 56802965
CID 60343625
CID 60343625
CID 71783851
CID 71783851
CID 71810318
CID 71810318
CID 71998842
CID 71998842
CID 75450237
CID 75450237
CID 97428268
CID 97428268
CID 97428278
CID 97428278
CID 22203297
CID 22203297

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 87027324) is N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide is COCCn1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ARPKNIIFJDBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O4S/c1-22-7-6-19-9-10(8-17-19)18-24(20,21)12-4-2-11(3-5-12)23-13(14,15)16/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 365.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 87027324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).