3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide

C11H16N2O3S — CID 43263873

IUPAC3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C11H16N2O3S/c1-2-13(8-3-4-8)17(15,16)9-5-6-11(14)10(12)7-9/h5-8,14H,2-4,12H2,1H3
InChIKeyHJVBFGMPYJWRAK-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide

3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide (PubChem CID 43263873) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
PubChem CID43263873
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1ccc(O)c(N)c1
InChIInChI=1S/C11H16N2O3S/c1-2-13(8-3-4-8)17(15,16)9-5-6-11(14)10(12)7-9/h5-8,14H,2-4,12H2,1H3
InChIKeyHJVBFGMPYJWRAK-UHFFFAOYSA-N
XLogP1.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43263870
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
4-[cyclopropyl(ethyl)sulfamoyl]benzenecarbothioamide
CID 43264374
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
N-(4-aminocyclohexyl)-3,4-dichloro-N-ethylbenzenesulfonamide
CID 79113991
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
3-amino-N-cyclopentyl-4-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140381
N-(4-aminocyclohexyl)-4-bromo-N-ethyl-3-methylbenzenesulfonamide
CID 79114135
N-cyclopropyl-N-ethyl-4-(methylamino)benzenesulfonamide
CID 43264442

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide (CID 43263873) is 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1ccc(O)c(N)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide?
The InChIKey is HJVBFGMPYJWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-13(8-3-4-8)17(15,16)9-5-6-11(14)10(12)7-9/h5-8,14H,2-4,12H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide?
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide has a molecular weight of 256.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 43263873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).