4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide

C12H16F2N2O2S — CID 63956337

IUPAC4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-2-16(7-8-3-4-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyCTWFGNHEUKFZDD-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.97
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide

4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide (PubChem CID 63956337) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
PubChem CID63956337
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-2-16(7-8-3-4-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyCTWFGNHEUKFZDD-UHFFFAOYSA-N
XLogP1.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63955321
4-amino-N-(cyclopropylmethyl)-N-ethylthiophene-2-sulfonamide
CID 63955111
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107402875

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide (CID 63956337) is 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide is CCN(CC1CC1)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide?
The InChIKey is CTWFGNHEUKFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-2-16(7-8-3-4-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide?
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 63956337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).