N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide

C22H32N4O4S2 — CID 118526824

IUPACN-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide
SMILESCC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C22H32N4O4S2/c1-19(2)18-26(12-11-20-7-5-4-6-8-20)32(29,30)22-10-9-21(17-23-22)24-13-15-25(16-14-24)31(3,27)28/h4-10,17,19H,11-16,18H2,1-3H3
InChIKeyOQQIUFAVSJAIJX-UHFFFAOYSA-N
MW480.66 g/mol
LogP2.05
Rot. Bonds9

About N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide

N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide (PubChem CID 118526824) has the molecular formula C22H32N4O4S2 and a molecular weight of 480.66 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide
PubChem CID118526824
Molecular FormulaC22H32N4O4S2
Molecular Weight480.66 g/mol
Exact Mass480.19
IUPAC NameN-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide
SMILESCC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C22H32N4O4S2/c1-19(2)18-26(12-11-20-7-5-4-6-8-20)32(29,30)22-10-9-21(17-23-22)24-13-15-25(16-14-24)31(3,27)28/h4-10,17,19H,11-16,18H2,1-3H3
InChIKeyOQQIUFAVSJAIJX-UHFFFAOYSA-N
XLogP2.05
TPSA90.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 757406
5-({[(4-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 73054728
5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide
CID 74766011
(R)-1-(4-tert-butylphenylsulfonyl)-2-methyl-4-(3-(pyridin-4-yl)propyl)piperazine
CID 44564924
1-[(4-Methylphenyl)sulfonyl]-4-(pyridin-3-ylmethyl)piperazine
CID 873509
N-methyl-4-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridinesulfonamide
CID 901951
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
2-Phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
CID 58211074
N-benzyl-N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)pyridine-3-sulfonamide
CID 118526913
N-(2-methylpropyl)-6-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-sulfonamide
CID 118527010
Piperazine moiety, 3
CID 57339811
Benzene-1,4-disulfonic acid 1-amide 4-(phenethyl-pyridin-2-ylmethyl-amide)
CID 1176317

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide (CID 118526824) is N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide is CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide?
The InChIKey is OQQIUFAVSJAIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S2/c1-19(2)18-26(12-11-20-7-5-4-6-8-20)32(29,30)22-10-9-21(17-23-22)24-13-15-25(16-14-24)31(3,27)28/h4-10,17,19H,11-16,18H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide?
N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide has a molecular weight of 480.66 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 118526824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).