N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C16H15N3O5S — CID 53372349

IUPACN-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15N3O5S/c20-16-17-7-8-19(16)12-2-4-13(5-3-12)25(21,22)18-11-1-6-14-15(9-11)24-10-23-14/h1-6,9,18H,7-8,10H2,(H,17,20)
InChIKeyBZZHDBTWWVGARH-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.75
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 53372349) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID53372349
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15N3O5S/c20-16-17-7-8-19(16)12-2-4-13(5-3-12)25(21,22)18-11-1-6-14-15(9-11)24-10-23-14/h1-6,9,18H,7-8,10H2,(H,17,20)
InChIKeyBZZHDBTWWVGARH-UHFFFAOYSA-N
XLogP1.75
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

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Related Compounds

4-[(1,3-benzodioxol-5-ylcarbamoyl)amino]-N-ethylbenzenesulfonamide
CID 2206548
N-(3,4-dimethoxyphenyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
CID 8582580
1-(1,3-Benzodioxol-5-yl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 17298730
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 2279484
N-(1,3-benzodioxol-5-yl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 667137
(2-Methoxyphenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 53363410
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-(3,4-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372869
N-[4-(difluoromethoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53373004
N-(3-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 56839168
4-(2-oxoimidazolidin-1-yl)-N-(3-phenoxyphenyl)benzenesulfonamide
CID 56931305
4-(2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 56931307

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 53372349) is N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is BZZHDBTWWVGARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c20-16-17-7-8-19(16)12-2-4-13(5-3-12)25(21,22)18-11-1-6-14-15(9-11)24-10-23-14/h1-6,9,18H,7-8,10H2,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 361.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53372349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).