3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C10H12ClF3N2O2S — CID 62058073

IUPAC3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H12ClF3N2O2S/c1-16(5-4-10(12,13)14)19(17,18)7-2-3-8(11)9(15)6-7/h2-3,6H,4-5,15H2,1H3
InChIKeyIWQICFHGCSMCTA-UHFFFAOYSA-N
MW316.73 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 62058073) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID62058073
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC Name3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C10H12ClF3N2O2S/c1-16(5-4-10(12,13)14)19(17,18)7-2-3-8(11)9(15)6-7/h2-3,6H,4-5,15H2,1H3
InChIKeyIWQICFHGCSMCTA-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43345894
3-chloro-4-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 115591023
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43374844
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
3-amino-4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413736
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
2-chloro-5-(trifluoromethylsulfonyl)aniline;ethane
CID 143086090
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782
N-(3-aminopropyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 98781428

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 62058073) is 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CN(CCC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is IWQICFHGCSMCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S/c1-16(5-4-10(12,13)14)19(17,18)7-2-3-8(11)9(15)6-7/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 316.73 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 62058073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).