N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C17H18N2O6S — CID 142640881

IUPACN,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1O
InChIInChI=1S/C17H18N2O6S/c20-16(18-21)17(11-4-12-19(17)22)26(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,21-22H,4,11-12H2,(H,18,20)
InChIKeyRVWOOZRIOHVZRX-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.94
Rot. Bonds5

About N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide

N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 142640881) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID142640881
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC NameN,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1O
InChIInChI=1S/C17H18N2O6S/c20-16(18-21)17(11-4-12-19(17)22)26(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,21-22H,4,11-12H2,(H,18,20)
InChIKeyRVWOOZRIOHVZRX-UHFFFAOYSA-N
XLogP1.94
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

(2R)-N-hydroxy-2-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 10164671
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
methyl (2R)-2-(4-bromophenyl)sulfonyl-1-hydroxypyrrolidine-2-carboxylate
CID 67614287
N-hydroxy-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
CID 11561492
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734
4-(hydroxycarbamoyl)-4-[2-(4-phenoxyphenyl)sulfonylethyl]piperidine-1-carboxylic acid
CID 18406831
(2R)-N-hydroxy-2-[4-(4-phenylphenoxy)phenyl]sulfonylpiperidine-2-carboxamide
CID 20683088
1-acetyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 11711856
N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide
CID 22985853
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-phenyl-8-azaspiro[4.5]decane-3-carboxamide
CID 72948809
1-benzoyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22707809
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369

Frequently Asked Questions

What is the IUPAC name of N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 142640881) is N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCCN1O.
What is the InChIKey of N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is RVWOOZRIOHVZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c20-16(18-21)17(11-4-12-19(17)22)26(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,21-22H,4,11-12H2,(H,18,20).
What are the key properties of N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142640881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).