N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide

C21H30N4O4S2 — CID 118526913

IUPACN-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C21H30N4O4S2/c1-18(2)16-25(17-19-7-5-4-6-8-19)31(28,29)20-9-10-21(22-15-20)23-11-13-24(14-12-23)30(3,26)27/h4-10,15,18H,11-14,16-17H2,1-3H3
InChIKeyOVEADGKOCGVCJY-UHFFFAOYSA-N
MW466.63 g/mol
LogP2.01
Rot. Bonds8

About N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide

N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 118526913) has the molecular formula C21H30N4O4S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID118526913
Molecular FormulaC21H30N4O4S2
Molecular Weight466.63 g/mol
Exact Mass466.17
IUPAC NameN-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1
InChIInChI=1S/C21H30N4O4S2/c1-18(2)16-25(17-19-7-5-4-6-8-19)31(28,29)20-9-10-21(22-15-20)23-11-13-24(14-12-23)30(3,26)27/h4-10,15,18H,11-14,16-17H2,1-3H3
InChIKeyOVEADGKOCGVCJY-UHFFFAOYSA-N
XLogP2.01
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 735815
N,4-dimethyl-N-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)benzenesulfonamide
CID 2953239
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
Arylsulfonylpiperazine, 10
CID 23648664
Arylsulfonylpiperazine, 38
CID 23648694
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 6
CID 44237014
Arylsulfonylpiperazine, 16
CID 44237021
Arylsulfonylpiperazine, 17
CID 44237022
Arylsulfonylpiperazine, 25
CID 44237028

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide (CID 118526913) is N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide is CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)nc1.
What is the InChIKey of N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is OVEADGKOCGVCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S2/c1-18(2)16-25(17-19-7-5-4-6-8-19)31(28,29)20-9-10-21(22-15-20)23-11-13-24(14-12-23)30(3,26)27/h4-10,15,18H,11-14,16-17H2,1-3H3.
What are the key properties of N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide?
N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 466.63 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 118526913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).