N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide

C20H24ClN3O3S — CID 1147316

IUPACN-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)c(Cl)c2)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-15-5-8-17(9-6-15)28(26,27)23-16-7-10-19(18(21)13-16)22-20(25)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)
InChIKeyVIGPRBKXNBKOQK-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.87
Rot. Bonds6

About N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide

N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 1147316) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID1147316
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)c(Cl)c2)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-15-5-8-17(9-6-15)28(26,27)23-16-7-10-19(18(21)13-16)22-20(25)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)
InChIKeyVIGPRBKXNBKOQK-UHFFFAOYSA-N
XLogP3.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide (CID 1147316) is N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)c(Cl)c2)cc1.
What is the InChIKey of N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is VIGPRBKXNBKOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-15-5-8-17(9-6-15)28(26,27)23-16-7-10-19(18(21)13-16)22-20(25)14-24-11-3-2-4-12-24/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide?
N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 421.95 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1147316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).