3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C16H25ClN2O3S — CID 16887572

IUPAC3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C16H25ClN2O3S/c1-12(2)19-8-6-13(7-9-19)11-18-23(20,21)14-4-5-16(22-3)15(17)10-14/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyJPBLJIOABZZWKX-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.75
Rot. Bonds6

About 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887572) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887572
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C16H25ClN2O3S/c1-12(2)19-8-6-13(7-9-19)11-18-23(20,21)14-4-5-16(22-3)15(17)10-14/h4-5,10,12-13,18H,6-9,11H2,1-3H3
InChIKeyJPBLJIOABZZWKX-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887572) is 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is JPBLJIOABZZWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-12(2)19-8-6-13(7-9-19)11-18-23(20,21)14-4-5-16(22-3)15(17)10-14/h4-5,10,12-13,18H,6-9,11H2,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 360.91 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).