2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

C22H31N3O2S — CID 59230355

IUPAC2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(-c3ccccn3)c2)CC1
InChIInChI=1S/C22H31N3O2S/c1-22(2,3)28(26,27)25-19-12-10-17(11-13-19)16-24-20-8-6-7-18(15-20)21-9-4-5-14-23-21/h4-9,14-15,17,19,24-25H,10-13,16H2,1-3H3
InChIKeyIESOYSDEIYTAQQ-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.44
Rot. Bonds6

About 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59230355) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59230355
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(-c3ccccn3)c2)CC1
InChIInChI=1S/C22H31N3O2S/c1-22(2,3)28(26,27)25-19-12-10-17(11-13-19)16-24-20-8-6-7-18(15-20)21-9-4-5-14-23-21/h4-9,14-15,17,19,24-25H,10-13,16H2,1-3H3
InChIKeyIESOYSDEIYTAQQ-UHFFFAOYSA-N
XLogP4.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (CID 59230355) is 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2cccc(-c3ccccn3)c2)CC1.
What is the InChIKey of 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is IESOYSDEIYTAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c1-22(2,3)28(26,27)25-19-12-10-17(11-13-19)16-24-20-8-6-7-18(15-20)21-9-4-5-14-23-21/h4-9,14-15,17,19,24-25H,10-13,16H2,1-3H3.
What are the key properties of 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 401.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(3-pyridin-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).