3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide

C14H15Cl2N3O4S — CID 97076287

IUPAC3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide
SMILESO=C1NC(=O)[C@]2(CCC[C@H]2CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)N1
InChIInChI=1S/C14H15Cl2N3O4S/c15-9-4-10(16)6-11(5-9)24(22,23)17-7-8-2-1-3-14(8)12(20)18-13(21)19-14/h4-6,8,17H,1-3,7H2,(H2,18,19,20,21)/t8-,14+/m0/s1
InChIKeyHYHAGSMUVDWZIW-RMLUDKJBSA-N
MW392.26 g/mol
LogP1.65
Rot. Bonds4

About 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide

3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide (PubChem CID 97076287) has the molecular formula C14H15Cl2N3O4S and a molecular weight of 392.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide
PubChem CID97076287
Molecular FormulaC14H15Cl2N3O4S
Molecular Weight392.26 g/mol
Exact Mass391.02
IUPAC Name3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide
SMILESO=C1NC(=O)[C@]2(CCC[C@H]2CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)N1
InChIInChI=1S/C14H15Cl2N3O4S/c15-9-4-10(16)6-11(5-9)24(22,23)17-7-8-2-1-3-14(8)12(20)18-13(21)19-14/h4-6,8,17H,1-3,7H2,(H2,18,19,20,21)/t8-,14+/m0/s1
InChIKeyHYHAGSMUVDWZIW-RMLUDKJBSA-N
XLogP1.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[[(5S,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-3-methylbenzenesulfonamide
CID 97068150
4-bromo-N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-3-methylbenzenesulfonamide
CID 97068152
6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide
CID 177036785
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 20798889
3,5-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540409
(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95566914
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
CID 114295411
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-benzothiophene-5-carboxamide
CID 124884132
3-chloro-N-(1,3-dioxan-2-ylmethyl)-5-fluorobenzenesulfonamide
CID 126824889
(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124881194

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide (CID 97076287) is 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide is O=C1NC(=O)[C@]2(CCC[C@H]2CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)N1.
What is the InChIKey of 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide?
The InChIKey is HYHAGSMUVDWZIW-RMLUDKJBSA-N. The full InChI is InChI=1S/C14H15Cl2N3O4S/c15-9-4-10(16)6-11(5-9)24(22,23)17-7-8-2-1-3-14(8)12(20)18-13(21)19-14/h4-6,8,17H,1-3,7H2,(H2,18,19,20,21)/t8-,14+/m0/s1.
What are the key properties of 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide?
3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide has a molecular weight of 392.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 97076287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).