4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide

C10H15F2N3O2S — CID 82901311

IUPAC4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(F)F)c1
InChIInChI=1S/C10H15F2N3O2S/c1-2-15-18(16,17)7-3-4-8(13)9(5-7)14-6-10(11)12/h3-5,10,14-15H,2,6,13H2,1H3
InChIKeyCGJQQECGWHRKCU-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.24
Rot. Bonds6

About 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide

4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide (PubChem CID 82901311) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
PubChem CID82901311
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC Name4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NCC(F)F)c1
InChIInChI=1S/C10H15F2N3O2S/c1-2-15-18(16,17)7-3-4-8(13)9(5-7)14-6-10(11)12/h3-5,10,14-15H,2,6,13H2,1H3
InChIKeyCGJQQECGWHRKCU-UHFFFAOYSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[2-(dimethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 82900023
4-amino-N-ethyl-3-[(2-ethyl-4-hydroxybutyl)amino]benzenesulfonamide
CID 82902466
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
4-amino-N-ethyl-3-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 82899224
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-N-ethyl-3-(hexan-2-ylamino)benzenesulfonamide
CID 82900349
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-3-[(3-bromothiophen-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 82902613
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide (CID 82901311) is 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NCC(F)F)c1.
What is the InChIKey of 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide?
The InChIKey is CGJQQECGWHRKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-2-15-18(16,17)7-3-4-8(13)9(5-7)14-6-10(11)12/h3-5,10,14-15H,2,6,13H2,1H3.
What are the key properties of 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide?
4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,2-difluoroethylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82901311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).