N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide

C18H19N3O2S2 — CID 166282079

IUPACN-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccncc2)CC1)c1csc2ccccc12
InChIInChI=1S/C18H19N3O2S2/c22-25(23,18-13-24-17-4-2-1-3-16(17)18)20-14-7-11-21(12-8-14)15-5-9-19-10-6-15/h1-6,9-10,13-14,20H,7-8,11-12H2
InChIKeyWUJWMZQYNKTMBM-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.24
Rot. Bonds4

About N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide

N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide (PubChem CID 166282079) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
PubChem CID166282079
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCN(c2ccncc2)CC1)c1csc2ccccc12
InChIInChI=1S/C18H19N3O2S2/c22-25(23,18-13-24-17-4-2-1-3-16(17)18)20-14-7-11-21(12-8-14)15-5-9-19-10-6-15/h1-6,9-10,13-14,20H,7-8,11-12H2
InChIKeyWUJWMZQYNKTMBM-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
N-[(3S)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide
CID 162664339
2-amino-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
CID 158558609
2-(1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpiperidin-4-yl)ethanesulfonamide
CID 66624402
1-pyridin-4-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43343794
N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 79563479
2-methylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905841
2-methyl-N-(1-pyridin-4-ylazetidin-3-yl)indazole-3-sulfonamide
CID 166308837
N-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 79101320
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
N-(2-ethylphenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166976
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide (CID 166282079) is N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide is O=S(=O)(NC1CCN(c2ccncc2)CC1)c1csc2ccccc12.
What is the InChIKey of N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
The InChIKey is WUJWMZQYNKTMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-25(23,18-13-24-17-4-2-1-3-16(17)18)20-14-7-11-21(12-8-14)15-5-9-19-10-6-15/h1-6,9-10,13-14,20H,7-8,11-12H2.
What are the key properties of N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide?
N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpiperidin-4-yl)-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 166282079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).