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

C10H11F3N2O2S — CID 114158366

IUPAC2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)9(5-6-9)15-18(16,17)8-4-2-1-3-7(8)14/h1-4,15H,5-6,14H2
InChIKeyPQWJVBCVAQQEML-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.64
Rot. Bonds3

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

2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 114158366) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID114158366
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)9(5-6-9)15-18(16,17)8-4-2-1-3-7(8)14/h1-4,15H,5-6,14H2
InChIKeyPQWJVBCVAQQEML-UHFFFAOYSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.64
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

2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208576
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208595
6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
CID 106208511
4-methyl-3-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzenecarbothioamide
CID 106217527
2,4-difluoro-3-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218443
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517
3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218763
2-amino-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 104859283
3-(aminomethyl)-5-chloro-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 114158366) is 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is Nc1ccccc1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is PQWJVBCVAQQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)9(5-6-9)15-18(16,17)8-4-2-1-3-7(8)14/h1-4,15H,5-6,14H2.
What are the key properties of 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 280.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 114158366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).