N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C15H10ClF3N2O3S2 — CID 46396342

IUPACN-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cc(-c2cc(C(F)(F)F)on2)cs1
InChIInChI=1S/C15H10ClF3N2O3S2/c16-11-4-2-1-3-9(11)7-20-26(22,23)14-5-10(8-25-14)12-6-13(24-21-12)15(17,18)19/h1-6,8,20H,7H2
InChIKeyUGAMFHZWXXLXHE-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.55
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 46396342) has the molecular formula C15H10ClF3N2O3S2 and a molecular weight of 422.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID46396342
Molecular FormulaC15H10ClF3N2O3S2
Molecular Weight422.84 g/mol
Exact Mass421.98
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cc(-c2cc(C(F)(F)F)on2)cs1
InChIInChI=1S/C15H10ClF3N2O3S2/c16-11-4-2-1-3-9(11)7-20-26(22,23)14-5-10(8-25-14)12-6-13(24-21-12)15(17,18)19/h1-6,8,20H,7H2
InChIKeyUGAMFHZWXXLXHE-UHFFFAOYSA-N
XLogP4.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 92884993
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
N-[(2-chlorophenyl)methyl]-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839136
3-[5-(4-benzylpiperidin-1-yl)sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840219
N-(2-chloro-4,6-dimethoxyphenyl)-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 50840041
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
N-[(2-chloro-4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135075
3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 50840132
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604460

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 46396342) is N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1cc(-c2cc(C(F)(F)F)on2)cs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is UGAMFHZWXXLXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3S2/c16-11-4-2-1-3-9(11)7-20-26(22,23)14-5-10(8-25-14)12-6-13(24-21-12)15(17,18)19/h1-6,8,20H,7H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 422.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 46396342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).