N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide

C15H21Cl2N3O4S — CID 137348015

IUPACN-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CNc2cc(Cl)c(Cl)cc2O)CC1
InChIInChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3
InChIKeyRIUWVQAWHOOGFK-UHFFFAOYSA-N
MW410.32 g/mol
LogP2.04
Rot. Bonds6

About N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide

N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 137348015) has the molecular formula C15H21Cl2N3O4S and a molecular weight of 410.32 g/mol. Its IUPAC name is N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide
PubChem CID137348015
Molecular FormulaC15H21Cl2N3O4S
Molecular Weight410.32 g/mol
Exact Mass409.06
IUPAC NameN-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)CNc2cc(Cl)c(Cl)cc2O)CC1
InChIInChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3
InChIKeyRIUWVQAWHOOGFK-UHFFFAOYSA-N
XLogP2.04
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide (CID 137348015) is N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)CNc2cc(Cl)c(Cl)cc2O)CC1.
What is the InChIKey of N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is RIUWVQAWHOOGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O4S/c1-2-25(23,24)19-10-3-5-20(6-4-10)15(22)9-18-13-7-11(16)12(17)8-14(13)21/h7-8,10,18-19,21H,2-6,9H2,1H3.
What are the key properties of N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 410.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 137348015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).