(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide

C17H18ClN3O5S — CID 18659875

IUPAC(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
SMILESO=C(NO)[C@H]1CNCCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O5S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(24,25)21-10-9-19-11-16(21)17(22)20-23/h1-8,16,19,23H,9-11H2,(H,20,22)/t16-/m1/s1
InChIKeyYQCULNLACGYFJN-MRXNPFEDSA-N
MW411.87 g/mol
LogP1.60
Rot. Bonds5

About (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide

(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide (PubChem CID 18659875) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
PubChem CID18659875
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
SMILESO=C(NO)[C@H]1CNCCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClN3O5S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(24,25)21-10-9-19-11-16(21)17(22)20-23/h1-8,16,19,23H,9-11H2,(H,20,22)/t16-/m1/s1
InChIKeyYQCULNLACGYFJN-MRXNPFEDSA-N
XLogP1.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 141017724
N-hydroxy-1-[4-(1H-pyrazol-5-yl)phenyl]sulfonylpiperazine-2-carboxamide;hydrochloride
CID 22592893
(2R)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 166637066
methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 161339036
(2R)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 161339035
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
N-butoxy-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
CID 18675482
(3R)-N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonylmorpholine-3-carboxamide
CID 18345614
(3R)-N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-carboxamide
CID 18345616
5-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxy-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-2-carboxamide
CID 140523364
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide (CID 18659875) is (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide is O=C(NO)[C@H]1CNCCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
The InChIKey is YQCULNLACGYFJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(24,25)21-10-9-19-11-16(21)17(22)20-23/h1-8,16,19,23H,9-11H2,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide?
(2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide is sourced from PubChem (CID 18659875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).