2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C15H13F2N3O2S2 — CID 122161499

IUPAC2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)n1cccn1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2N3O2S2/c16-12-3-1-4-13(17)15(12)24(21,22)19-9-14(11-5-8-23-10-11)20-7-2-6-18-20/h1-8,10,14,19H,9H2
InChIKeyLRMPSBKSHKNVKV-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.79
Rot. Bonds6

About 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide

2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 122161499) has the molecular formula C15H13F2N3O2S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID122161499
Molecular FormulaC15H13F2N3O2S2
Molecular Weight369.42 g/mol
Exact Mass369.04
IUPAC Name2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccsc1)n1cccn1)c1c(F)cccc1F
InChIInChI=1S/C15H13F2N3O2S2/c16-12-3-1-4-13(17)15(12)24(21,22)19-9-14(11-5-8-23-10-11)20-7-2-6-18-20/h1-8,10,14,19H,9H2
InChIKeyLRMPSBKSHKNVKV-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161506
1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 122161510
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122244459
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100691082
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 122161523
2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 126852795
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122265298
3-fluoro-N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]benzenesulfonamide
CID 122266105

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 122161499) is 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccsc1)n1cccn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is LRMPSBKSHKNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S2/c16-12-3-1-4-13(17)15(12)24(21,22)19-9-14(11-5-8-23-10-11)20-7-2-6-18-20/h1-8,10,14,19H,9H2.
What are the key properties of 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 369.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 122161499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).