N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide

C21H29N3O5S2 — CID 118527019

IUPACN-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)CN(c1ccccn1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-17(2)16-24(21-6-4-5-13-22-21)31(27,28)20-9-7-18(8-10-20)29-19-11-14-23(15-12-19)30(3,25)26/h4-10,13,17,19H,11-12,14-16H2,1-3H3
InChIKeyZKBCHSJYWPOSGZ-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.74
Rot. Bonds8

About N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide

N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 118527019) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
PubChem CID118527019
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC NameN-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
SMILESCC(C)CN(c1ccccn1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-17(2)16-24(21-6-4-5-13-22-21)31(27,28)20-9-7-18(8-10-20)29-19-11-14-23(15-12-19)30(3,25)26/h4-10,13,17,19H,11-12,14-16H2,1-3H3
InChIKeyZKBCHSJYWPOSGZ-UHFFFAOYSA-N
XLogP2.74
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
N-pyridin-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2315879
2-[[(4-Methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetic acid
CID 1472191
N-(5-isopropylpyridin-2-yl)-N-(3-methylbutan-2-yl)-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide
CID 72194692
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-3-ylbenzenesulfonamide
CID 118526919
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
N-(4-methyl-2-pyridinyl)-4-phenoxybenzenesulfonamide
CID 801380
1-((2,5-Dimethoxyphenyl)sulfonyl)-4-(2-pyridyl)piperazine
CID 1091562
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
Ethyl 2-[[(4-methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetate
CID 2765461
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 2999912

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide (CID 118527019) is N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide is CC(C)CN(c1ccccn1)S(=O)(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is ZKBCHSJYWPOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-17(2)16-24(21-6-4-5-13-22-21)31(27,28)20-9-7-18(8-10-20)29-19-11-14-23(15-12-19)30(3,25)26/h4-10,13,17,19H,11-12,14-16H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide?
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 467.61 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 118527019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).