4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide

C13H20N2O3S — CID 79588511

IUPAC4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(14)8-10(2)13(9)19(17,18)15(5-6-16)12-3-4-12/h7-8,12,16H,3-6,14H2,1-2H3
InChIKeyQBQUOVUQXWZMML-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.03
Rot. Bonds5

About 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide

4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 79588511) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID79588511
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N(CCO)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-9-7-11(14)8-10(2)13(9)19(17,18)15(5-6-16)12-3-4-12/h7-8,12,16H,3-6,14H2,1-2H3
InChIKeyQBQUOVUQXWZMML-UHFFFAOYSA-N
XLogP1.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

o-Toluenesulfonamide, 4-amino-N-(2-hydroxyethyl)-
CID 3052695
5-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 102859145
2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61138386
4-amino-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140838
4-amino-2,6-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79569032
4-amino-N-cyclopropyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79569964
4-amino-N-(2-hydroxyethyl)-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79570336
4-amino-2,6-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79570786
4-amino-N-ethyl-2,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79589195
4-amino-N,2,6-trimethyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79589291
5-amino-N-cyclopropyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79897335
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 79900985

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide (CID 79588511) is 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)N(CCO)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is QBQUOVUQXWZMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-7-11(14)8-10(2)13(9)19(17,18)15(5-6-16)12-3-4-12/h7-8,12,16H,3-6,14H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 79588511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).