N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide

C15H16F2N2O4S3 — CID 46558306

IUPACN-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1cccs1
InChIInChI=1S/C15H16F2N2O4S3/c16-12-3-1-4-13(17)15(12)26(22,23)19-8-6-11(7-9-19)18-25(20,21)14-5-2-10-24-14/h1-5,10-11,18H,6-9H2
InChIKeyMOAWSSBJVNEKGD-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.16
Rot. Bonds5

About N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide

N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 46558306) has the molecular formula C15H16F2N2O4S3 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
PubChem CID46558306
Molecular FormulaC15H16F2N2O4S3
Molecular Weight422.50 g/mol
Exact Mass422.02
IUPAC NameN-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1cccs1
InChIInChI=1S/C15H16F2N2O4S3/c16-12-3-1-4-13(17)15(12)26(22,23)19-8-6-11(7-9-19)18-25(20,21)14-5-2-10-24-14/h1-5,10-11,18H,6-9H2
InChIKeyMOAWSSBJVNEKGD-UHFFFAOYSA-N
XLogP2.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603
N-(2-fluorophenyl)-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55484909
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243774
methyl 4-chloro-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]sulfonylbenzoate
CID 30872655
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
2-(4-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetic acid
CID 136550194
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide (CID 46558306) is N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)c1cccs1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is MOAWSSBJVNEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O4S3/c16-12-3-1-4-13(17)15(12)26(22,23)19-8-6-11(7-9-19)18-25(20,21)14-5-2-10-24-14/h1-5,10-11,18H,6-9H2.
What are the key properties of N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 422.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 46558306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).