6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide

C14H17ClN4O4S — CID 177036785

IUPAC6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide
SMILESCc1nc(Cl)ccc1S(=O)(=O)NCC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C14H17ClN4O4S/c1-8-10(4-5-11(15)17-8)24(22,23)16-7-9-3-2-6-14(9)12(20)18-13(21)19-14/h4-5,9,16H,2-3,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyMUWGQHANRKGDRZ-UHFFFAOYSA-N
MW372.83 g/mol
LogP0.70
Rot. Bonds4

About 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide

6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide (PubChem CID 177036785) has the molecular formula C14H17ClN4O4S and a molecular weight of 372.83 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide
PubChem CID177036785
Molecular FormulaC14H17ClN4O4S
Molecular Weight372.83 g/mol
Exact Mass372.07
IUPAC Name6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide
SMILESCc1nc(Cl)ccc1S(=O)(=O)NCC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C14H17ClN4O4S/c1-8-10(4-5-11(15)17-8)24(22,23)16-7-9-3-2-6-14(9)12(20)18-13(21)19-14/h4-5,9,16H,2-3,6-7H2,1H3,(H2,18,19,20,21)
InChIKeyMUWGQHANRKGDRZ-UHFFFAOYSA-N
XLogP0.70
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide (CID 177036785) is 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide is Cc1nc(Cl)ccc1S(=O)(=O)NCC1CCCC12NC(=O)NC2=O.
What is the InChIKey of 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide?
The InChIKey is MUWGQHANRKGDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4S/c1-8-10(4-5-11(15)17-8)24(22,23)16-7-9-3-2-6-14(9)12(20)18-13(21)19-14/h4-5,9,16H,2-3,6-7H2,1H3,(H2,18,19,20,21).
What are the key properties of 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide?
6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide has a molecular weight of 372.83 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 177036785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).