5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C11H13F3N2O3S — CID 106208576

IUPAC5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O3S/c1-19-8-3-2-7(15)6-9(8)20(17,18)16-10(4-5-10)11(12,13)14/h2-3,6,16H,4-5,15H2,1H3
InChIKeyYPVBNLVMSCDHFI-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.65
Rot. Bonds4

About 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106208576) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106208576
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O3S/c1-19-8-3-2-7(15)6-9(8)20(17,18)16-10(4-5-10)11(12,13)14/h2-3,6,16H,4-5,15H2,1H3
InChIKeyYPVBNLVMSCDHFI-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.65
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

4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942
6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
CID 106208511
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
5-amino-N-[(3R)-3-cyanopyrrolidin-3-yl]-2-methoxybenzenesulfonamide
CID 68799884
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208595
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
CID 61467171

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106208576) is 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is YPVBNLVMSCDHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-19-8-3-2-7(15)6-9(8)20(17,18)16-10(4-5-10)11(12,13)14/h2-3,6,16H,4-5,15H2,1H3.
What are the key properties of 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 310.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).