1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide

C20H20N4O3S — CID 163311368

IUPAC1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC1
InChIInChI=1S/C20H20N4O3S/c21-28(26,27)16-8-12-24(13-9-16)20(25)15-5-3-14(4-6-15)19-17-2-1-10-22-18(17)7-11-23-19/h1-7,10-11,16H,8-9,12-13H2,(H2,21,26,27)
InChIKeyANTJAGJKDNNUQQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide

1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide (PubChem CID 163311368) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide
PubChem CID163311368
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC1
InChIInChI=1S/C20H20N4O3S/c21-28(26,27)16-8-12-24(13-9-16)20(25)15-5-3-14(4-6-15)19-17-2-1-10-22-18(17)7-11-23-19/h1-7,10-11,16H,8-9,12-13H2,(H2,21,26,27)
InChIKeyANTJAGJKDNNUQQ-UHFFFAOYSA-N
XLogP2.19
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone
CID 163311569
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 134803693
1-[3-(1H-indol-4-yl)benzoyl]piperidine-4-sulfonamide
CID 169415725
[4-(4-chlorophenoxy)piperidin-1-yl]-(1,6-naphthyridin-5-yl)methanone
CID 67168369
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
4-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyridinyl]benzoic acid
CID 110120379
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
N-cyclopropyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 30690904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide?
The IUPAC name of 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide (CID 163311368) is 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide.
What is the SMILES notation for 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide?
The canonical SMILES for 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide is NS(=O)(=O)C1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC1.
What is the InChIKey of 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide?
The InChIKey is ANTJAGJKDNNUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c21-28(26,27)16-8-12-24(13-9-16)20(25)15-5-3-14(4-6-15)19-17-2-1-10-22-18(17)7-11-23-19/h1-7,10-11,16H,8-9,12-13H2,(H2,21,26,27).
What are the key properties of 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide?
1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,6-naphthyridin-5-yl)benzoyl]piperidine-4-sulfonamide is sourced from PubChem (CID 163311368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).