3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C11H13F3N2O2S — CID 106208577

IUPAC3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H13F3N2O2S/c1-7-2-3-8(6-9(7)15)19(17,18)16-10(4-5-10)11(12,13)14/h2-3,6,16H,4-5,15H2,1H3
InChIKeyBMBBJKONXRFAAQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.95
Rot. Bonds3

About 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106208577) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106208577
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C11H13F3N2O2S/c1-7-2-3-8(6-9(7)15)19(17,18)16-10(4-5-10)11(12,13)14/h2-3,6,16H,4-5,15H2,1H3
InChIKeyBMBBJKONXRFAAQ-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

4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
4-methyl-3-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzenecarbothioamide
CID 106217527
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621
3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217883
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208576

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106208577) is 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is BMBBJKONXRFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-2-3-8(6-9(7)15)19(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 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
3-amino-4-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-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106208577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).