N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine

C16H17ClN2O5S — CID 142989221

IUPACN-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine
SMILESO=S(=O)(c1ccc(Oc2c(Cl)cccc2NO)cc1)N1CCOCC1
InChIInChI=1S/C16H17ClN2O5S/c17-14-2-1-3-15(18-20)16(14)24-12-4-6-13(7-5-12)25(21,22)19-8-10-23-11-9-19/h1-7,18,20H,8-11H2
InChIKeyVHEOIASKXFRAGJ-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.95
Rot. Bonds5

About N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine

N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine (PubChem CID 142989221) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine
PubChem CID142989221
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC NameN-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine
SMILESO=S(=O)(c1ccc(Oc2c(Cl)cccc2NO)cc1)N1CCOCC1
InChIInChI=1S/C16H17ClN2O5S/c17-14-2-1-3-15(18-20)16(14)24-12-4-6-13(7-5-12)25(21,22)19-8-10-23-11-9-19/h1-7,18,20H,8-11H2
InChIKeyVHEOIASKXFRAGJ-UHFFFAOYSA-N
XLogP2.95
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 142989148
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[2-chloro-6-(4-morpholin-4-ylsulfonylphenoxy)phenyl]methanamine
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N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
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4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
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N-(2-chlorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
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4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
N'-(4-morpholin-4-ylsulfonylphenyl)-N-(4-phenoxyphenyl)butanediamide
CID 4643270
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
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4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
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CID 9311294

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine?
The IUPAC name of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine (CID 142989221) is N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine.
What is the SMILES notation for N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine?
The canonical SMILES for N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine is O=S(=O)(c1ccc(Oc2c(Cl)cccc2NO)cc1)N1CCOCC1.
What is the InChIKey of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine?
The InChIKey is VHEOIASKXFRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c17-14-2-1-3-15(18-20)16(14)24-12-4-6-13(7-5-12)25(21,22)19-8-10-23-11-9-19/h1-7,18,20H,8-11H2.
What are the key properties of N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine?
N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine has a molecular weight of 384.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(4-morpholin-4-ylsulfonylphenoxy)phenyl]hydroxylamine is sourced from PubChem (CID 142989221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).