2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide

C13H13F3N4O2S — CID 140981818

IUPAC2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCNc1cc(NS(=O)(=O)c2ccccc2N)cc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O2S/c1-18-12-7-8(6-11(19-12)13(14,15)16)20-23(21,22)10-5-3-2-4-9(10)17/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyBHTDCPVQEUCWSW-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide

2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (PubChem CID 140981818) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
PubChem CID140981818
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC Name2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide
SMILESCNc1cc(NS(=O)(=O)c2ccccc2N)cc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O2S/c1-18-12-7-8(6-11(19-12)13(14,15)16)20-23(21,22)10-5-3-2-4-9(10)17/h2-7H,17H2,1H3,(H2,18,19,20)
InChIKeyBHTDCPVQEUCWSW-UHFFFAOYSA-N
XLogP2.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(ethylamino)-6-(methylamino)-4-pyridinyl]benzenesulfonamide
CID 19353515
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
2-amino-N-[4-methoxy-3,5-di(propan-2-yl)phenyl]benzenesulfonamide
CID 5268897
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
sodium N-[2,6-bis(trifluoromethyl)-4-pyridinyl]sulfamate
CID 102006553
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide (CID 140981818) is 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is CNc1cc(NS(=O)(=O)c2ccccc2N)cc(C(F)(F)F)n1.
What is the InChIKey of 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
The InChIKey is BHTDCPVQEUCWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-18-12-7-8(6-11(19-12)13(14,15)16)20-23(21,22)10-5-3-2-4-9(10)17/h2-7H,17H2,1H3,(H2,18,19,20).
What are the key properties of 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide?
2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methylamino)-6-(trifluoromethyl)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 140981818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).