Basic information
- CAS
5657-41-0- Standard SMILES
NC(=O)Nc1ccc(S(N)(=O)=O)cc1- InChIKey
ISCCNJYJZOFXNN-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.03646233
Names & identifiers
- Preferred name
- (4-Sulfamoylphenyl)urea
- IUPAC
- (4-sulfamoylphenyl)urea
- English name
- Benzenesulfonamide, 4-[(aminocarbonyl)amino]-
- Molecular formula
- C7H9N3O3S
- Molecular weight
- 215.23
Names & synonyms
(4-sulfamoylphenyl)urea5657-41-04-UreidobenzenesulfonamideBenzenesulfonamide, 4-[(aminocarbonyl)amino]-NSC406058SCHEMBL358576DTXSID90324222FAA65741AKOS000199122NSC-4060584-(Carbamoylamino)benzene-1-sulfonamideEN300-21789
Show more names
Z119967296
Database identifiers
- CAS
5657-41-0- PubChem CID
- 347396
- DTXSID
DTXSID90324222
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 206 · 206-207 °C
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.12(Predicted)
Chemistry & industry
Suppliers5 total
上海拓目化工有限公司13391076197 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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