N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

C21H22N4O5S — CID 56580607

IUPACN-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)CC2)N1
InChIInChI=1S/C21H22N4O5S/c26-18(14-9-11-21(12-10-14)19(27)23-20(28)24-21)22-15-5-4-6-16(13-15)25-31(29,30)17-7-2-1-3-8-17/h1-8,13-14,25H,9-12H2,(H,22,26)(H2,23,24,27,28)
InChIKeyMCMBYJJGYQWLSS-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 56580607) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID56580607
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)CC2)N1
InChIInChI=1S/C21H22N4O5S/c26-18(14-9-11-21(12-10-14)19(27)23-20(28)24-21)22-15-5-4-6-16(13-15)25-31(29,30)17-7-2-1-3-8-17/h1-8,13-14,25H,9-12H2,(H,22,26)(H2,23,24,27,28)
InChIKeyMCMBYJJGYQWLSS-UHFFFAOYSA-N
XLogP2.19
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56581473
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56580134
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 56580607) is N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is O=C1NC(=O)C2(CCC(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)CC2)N1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is MCMBYJJGYQWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c26-18(14-9-11-21(12-10-14)19(27)23-20(28)24-21)22-15-5-4-6-16(13-15)25-31(29,30)17-7-2-1-3-8-17/h1-8,13-14,25H,9-12H2,(H,22,26)(H2,23,24,27,28).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56580607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).