(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide

C17H20N4O7S2 — CID 10527785

IUPAC(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1
InChIInChI=1S/C17H20N4O7S2/c1-29(24,25)20-12-10-16(17(22)19-23)21(11-12)30(26,27)15-4-2-13(3-5-15)28-14-6-8-18-9-7-14/h2-9,12,16,20,23H,10-11H2,1H3,(H,19,22)/t12-,16+/m0/s1
InChIKeyDZVJLUYVLJYLGY-BLLLJJGKSA-N
MW456.50 g/mol
LogP0.06
Rot. Bonds7

About (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide

(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 10527785) has the molecular formula C17H20N4O7S2 and a molecular weight of 456.50 g/mol. Its IUPAC name is (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID10527785
Molecular FormulaC17H20N4O7S2
Molecular Weight456.50 g/mol
Exact Mass456.08
IUPAC Name(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1
InChIInChI=1S/C17H20N4O7S2/c1-29(24,25)20-12-10-16(17(22)19-23)21(11-12)30(26,27)15-4-2-13(3-5-15)28-14-6-8-18-9-7-14/h2-9,12,16,20,23H,10-11H2,1H3,(H,19,22)/t12-,16+/m0/s1
InChIKeyDZVJLUYVLJYLGY-BLLLJJGKSA-N
XLogP0.06
TPSA155.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Prinomastat
CID 466151
Cgs-27023
CID 446504
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
CID 10527557
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421
(2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide
CID 11794888
(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonyl-1,4-thiazepane-3-carboxamide
CID 10503128

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 10527785) is (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N[C@H]1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)C1.
What is the InChIKey of (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DZVJLUYVLJYLGY-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H20N4O7S2/c1-29(24,25)20-12-10-16(17(22)19-23)21(11-12)30(26,27)15-4-2-13(3-5-15)28-14-6-8-18-9-7-14/h2-9,12,16,20,23H,10-11H2,1H3,(H,19,22)/t12-,16+/m0/s1.
What are the key properties of (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-hydroxy-4-(methanesulfonamido)-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10527785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).