2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide

C17H20Cl2N4O2S — CID 133453551

IUPAC2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H20Cl2N4O2S/c18-13-8-12(9-14(19)10-13)11-23-6-3-15(4-7-23)22-17-16(26(20,24)25)2-1-5-21-17/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,21,22)(H2,20,24,25)
InChIKeyMFQQDTXKNARYNJ-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.11
Rot. Bonds5

About 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide

2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide (PubChem CID 133453551) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
PubChem CID133453551
Molecular FormulaC17H20Cl2N4O2S
Molecular Weight415.35 g/mol
Exact Mass414.07
IUPAC Name2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C17H20Cl2N4O2S/c18-13-8-12(9-14(19)10-13)11-23-6-3-15(4-7-23)22-17-16(26(20,24)25)2-1-5-21-17/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,21,22)(H2,20,24,25)
InChIKeyMFQQDTXKNARYNJ-UHFFFAOYSA-N
XLogP3.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylpyrrolidin-3-yl)methylamino]pyridine-3-sulfonamide
CID 154740686
3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 133453509
3-methylsulfonyl-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 114598779
N-cyclopropyl-3-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]quinoxalin-2-amine
CID 90040007
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-sulfonamide
CID 126776510
2-[2-(azepan-1-yl)ethylamino]pyridine-3-sulfonamide
CID 133351386
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-sulfonamide
CID 133377701

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide (CID 133453551) is 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
The InChIKey is MFQQDTXKNARYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2S/c18-13-8-12(9-14(19)10-13)11-23-6-3-15(4-7-23)22-17-16(26(20,24)25)2-1-5-21-17/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,21,22)(H2,20,24,25).
What are the key properties of 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide?
2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide has a molecular weight of 415.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 133453551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).