4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide

C12H18N2O4S — CID 63294130

IUPAC4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C12H18N2O4S/c1-18-11-6-9(13)4-5-12(11)19(16,17)14-7-10(15)8-2-3-8/h4-6,8,10,14-15H,2-3,7,13H2,1H3
InChIKeyLOZMMONWRKDERF-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.33
Rot. Bonds6

About 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide (PubChem CID 63294130) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
PubChem CID63294130
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C12H18N2O4S/c1-18-11-6-9(13)4-5-12(11)19(16,17)14-7-10(15)8-2-3-8/h4-6,8,10,14-15H,2-3,7,13H2,1H3
InChIKeyLOZMMONWRKDERF-UHFFFAOYSA-N
XLogP0.33
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
methyl 4-amino-2-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoate
CID 102931236
4-amino-N-(dicyclopropylmethyl)-2-methoxybenzenesulfonamide
CID 61479238
5-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294397
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63981376
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 63298724
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide (CID 63294130) is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCC(O)C1CC1.
What is the InChIKey of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide?
The InChIKey is LOZMMONWRKDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-18-11-6-9(13)4-5-12(11)19(16,17)14-7-10(15)8-2-3-8/h4-6,8,10,14-15H,2-3,7,13H2,1H3.
What are the key properties of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide?
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 63294130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).