(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide

C17H23ClN2O5S — CID 118179842

IUPAC(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@]2(C(=O)NO)CCC3(CCNCC3)C2)cc1Cl
InChIInChI=1S/C17H23ClN2O5S/c1-25-14-3-2-12(10-13(14)18)26(23,24)17(15(21)20-22)5-4-16(11-17)6-8-19-9-7-16/h2-3,10,19,22H,4-9,11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyCBBXEXNEWFXPGR-KRWDZBQOSA-N
MW402.90 g/mol
LogP1.92
Rot. Bonds4

About (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide

(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118179842) has the molecular formula C17H23ClN2O5S and a molecular weight of 402.90 g/mol. Its IUPAC name is (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118179842
Molecular FormulaC17H23ClN2O5S
Molecular Weight402.90 g/mol
Exact Mass402.10
IUPAC Name(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)[C@@]2(C(=O)NO)CCC3(CCNCC3)C2)cc1Cl
InChIInChI=1S/C17H23ClN2O5S/c1-25-14-3-2-12(10-13(14)18)26(23,24)17(15(21)20-22)5-4-16(11-17)6-8-19-9-7-16/h2-3,10,19,22H,4-9,11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyCBBXEXNEWFXPGR-KRWDZBQOSA-N
XLogP1.92
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 51.92
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'}

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Related Compounds

[2-chloro-4-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenyl] 4-methoxybenzoate
CID 118179860
3-[3-chloro-4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179865
N-hydroxy-3-[4-(4-methoxy-1-benzofuran-2-yl)phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118159020
N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118734984
4-[3-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]benzoic acid
CID 118179857
N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118179839
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-phenyl-8-azaspiro[4.5]decane-3-carboxamide
CID 72948809
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-propanoyl-8-azaspiro[4.5]decane-3-carboxamide
CID 160744990
3-[3-chloro-4-(4-methoxyphenoxy)phenyl]sulfonyl-8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azaspiro[4.5]decane-3-carboxylic acid
CID 118159024
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide (CID 118179842) is (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide is COc1ccc(S(=O)(=O)[C@@]2(C(=O)NO)CCC3(CCNCC3)C2)cc1Cl.
What is the InChIKey of (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is CBBXEXNEWFXPGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23ClN2O5S/c1-25-14-3-2-12(10-13(14)18)26(23,24)17(15(21)20-22)5-4-16(11-17)6-8-19-9-7-16/h2-3,10,19,22H,4-9,11H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide?
(3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-chloro-4-methoxyphenyl)sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118179842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).