4-(Bicyclo[2.2.1]hept-2-ylamino)-3-({[(isopropylamino)carbonyl]amino}sulfonyl)pyridine
Basic information
- CAS
72810-68-5- Standard SMILES
CC(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CC2CCC1C2- InChIKey
KUUDCXGUWLYZPK-UHFFFAOYSA-N- Molecular formula
- C16H24N4O3S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.15691181
Names & identifiers
- Preferred name
- 4-(Bicyclo[2.2.1]hept-2-ylamino)-3-({[(isopropylamino)carbonyl]amino}sulfonyl)pyridine
- IUPAC
- 1-[[4-(2-bicyclo[2.2.1]heptanylamino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
- English name
- 4-(bicyclo[2.2.1]hept-2-ylamino)-3-({[(isopropylamino)carbonyl]amino}sulfonyl)pyridine
- Molecular formula
- C16H24N4O3S
- Molecular weight
- 352.45176
Names & synonyms
72810-68-5CHEMBL13482934-(bicyclo[2.2.1]hept-2-ylamino)-3-({[(isopropylamino)carbonyl]amino}sulfonyl)pyridine4-(Bicyclo[2.2.1]hept-2-ylamino)-N-[[(1-methylethyl)amino]carbonyl]-3-pyridinesulfonamideSMR000113476MLS000549579DTXSID001122635HMS2297H11BDBM50340968AJ-333/154780911-[4-(2-bicyclo[2.2.1]heptanylamino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea4-(bicyclo[2.2.1]heptan-2-ylamino)-N-(isopropylcarbamoyl)pyridine-3-sulfonamide
Show more names
4-[(Bicyclo[2.2.1]heptan-2-yl)amino]-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide3-Pyridinesulfonamide, 4-(bicyclo[2.2.1]hept-2-ylamino)-N-[[(1-methylethyl)amino]carbonyl]-
Database identifiers
- CAS
72810-68-5- PubChem CID
- 4157547
- DTXSID
DTXSID001122635- ChEMBL
CHEMBL1348293
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 560
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Compound notes
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