3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide

C10H14ClFN2O2S — CID 103050153

IUPAC3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-3-14(4-2)17(15,16)9-6-7(11)5-8(13)10(9)12/h5-6H,3-4,13H2,1-2H3
InChIKeyYZPNRNDPPWTLPG-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide

3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide (PubChem CID 103050153) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
PubChem CID103050153
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-3-14(4-2)17(15,16)9-6-7(11)5-8(13)10(9)12/h5-6H,3-4,13H2,1-2H3
InChIKeyYZPNRNDPPWTLPG-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.09
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

Benzenesulfonamide, 4-amino-3-chloro-N,N-dimethyl-
CID 205923
5-amino-2-chloro-N,N-dimethylbenzene-1-sulfonamide
CID 3613938
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
3-amino-4-fluoro-N,N-dimethylbenzene-1-sulfonamide
CID 24270660
N-(3-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341409
2-Chloro-5-(pyrrolidine-1-sulfonyl)aniline
CID 2963514
N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 849044
3-chloro-N-(2-fluorophenyl)benzenesulfonamide
CID 889615
N-(3-chlorophenyl)-3-fluorobenzenesulfonamide
CID 889823
2-Chloro-5-(piperidine-1-sulfonyl)aniline
CID 3803430
N-(3-Chlorophenyl) 3-aminobenzenesulfonamide
CID 3828479
4-Chloro-3-(pyrrolidine-1-sulfonyl)aniline
CID 3865079

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide (CID 103050153) is 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
The InChIKey is YZPNRNDPPWTLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-3-14(4-2)17(15,16)9-6-7(11)5-8(13)10(9)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N,N-diethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103050153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).