3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C11H13F3N2O2S — CID 106208517

IUPAC3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H13F3N2O2S/c1-7-4-8(15)6-9(5-7)19(17,18)16-10(2-3-10)11(12,13)14/h4-6,16H,2-3,15H2,1H3
InChIKeyIBSOTTZFMBJMRM-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.95
Rot. Bonds3

About 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106208517) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106208517
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H13F3N2O2S/c1-7-4-8(15)6-9(5-7)19(17,18)16-10(2-3-10)11(12,13)14/h4-6,16H,2-3,15H2,1H3
InChIKeyIBSOTTZFMBJMRM-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208576
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286
3-amino-N-[(1-hydroxycyclohexyl)methyl]-5-methylbenzenesulfonamide
CID 65102883
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 63824969
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106208517) is 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is IBSOTTZFMBJMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-4-8(15)6-9(5-7)19(17,18)16-10(2-3-10)11(12,13)14/h4-6,16H,2-3,15H2,1H3.
What are the key properties of 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 294.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106208517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).