N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide

C16H18F3N3O4S — CID 90622431

IUPACN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O4S/c17-16(18,19)26-14-1-3-15(4-2-14)27(23,24)21-13-9-20-22(11-13)10-12-5-7-25-8-6-12/h1-4,9,11-12,21H,5-8,10H2
InChIKeySULCLMKLMRTURV-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.01
Rot. Bonds6

About N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 90622431) has the molecular formula C16H18F3N3O4S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID90622431
Molecular FormulaC16H18F3N3O4S
Molecular Weight405.40 g/mol
Exact Mass405.10
IUPAC NameN-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O4S/c17-16(18,19)26-14-1-3-15(4-2-14)27(23,24)21-13-9-20-22(11-13)10-12-5-7-25-8-6-12/h1-4,9,11-12,21H,5-8,10H2
InChIKeySULCLMKLMRTURV-UHFFFAOYSA-N
XLogP3.01
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622401
4-ethoxy-3-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622466
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90622479
5-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622453
2-nitro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622410
3-acetyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 90622433
5-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]thiophene-2-sulfonamide
CID 90622425
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 90622320
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
CID 121427187
N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 139029418

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 90622431) is N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SULCLMKLMRTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4S/c17-16(18,19)26-14-1-3-15(4-2-14)27(23,24)21-13-9-20-22(11-13)10-12-5-7-25-8-6-12/h1-4,9,11-12,21H,5-8,10H2.
What are the key properties of N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 405.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 90622431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).