2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

C21H23Cl2N3O3S — CID 11583581

IUPAC2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccn2)CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O3S/c22-15-4-7-17(18(23)13-15)20(27)25-14-21(19-3-1-2-10-24-19)8-11-26(12-9-21)30(28,29)16-5-6-16/h1-4,7,10,13,16H,5-6,8-9,11-12,14H2,(H,25,27)
InChIKeyNTHIUNUSDAUDKD-UHFFFAOYSA-N
MW468.41 g/mol
LogP3.64
Rot. Bonds6

About 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide

2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 11583581) has the molecular formula C21H23Cl2N3O3S and a molecular weight of 468.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID11583581
Molecular FormulaC21H23Cl2N3O3S
Molecular Weight468.41 g/mol
Exact Mass467.08
IUPAC Name2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccn2)CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O3S/c22-15-4-7-17(18(23)13-15)20(27)25-14-21(19-3-1-2-10-24-19)8-11-26(12-9-21)30(28,29)16-5-6-16/h1-4,7,10,13,16H,5-6,8-9,11-12,14H2,(H,25,27)
InChIKeyNTHIUNUSDAUDKD-UHFFFAOYSA-N
XLogP3.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide (CID 11583581) is 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is O=C(NCC1(c2ccccn2)CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is NTHIUNUSDAUDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3S/c22-15-4-7-17(18(23)13-15)20(27)25-14-21(19-3-1-2-10-24-19)8-11-26(12-9-21)30(28,29)16-5-6-16/h1-4,7,10,13,16H,5-6,8-9,11-12,14H2,(H,25,27).
What are the key properties of 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide?
2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 468.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1-cyclopropylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 11583581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).