5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide

C11H16ClFN2O2S — CID 43258051

IUPAC5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H16ClFN2O2S/c1-2-3-4-5-15-18(16,17)10-7-8(14)6-9(12)11(10)13/h6-7,15H,2-5,14H2,1H3
InChIKeyNVSSGVUXNBJIIP-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds6

About 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide

5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide (PubChem CID 43258051) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide
PubChem CID43258051
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H16ClFN2O2S/c1-2-3-4-5-15-18(16,17)10-7-8(14)6-9(12)11(10)13/h6-7,15H,2-5,14H2,1H3
InChIKeyNVSSGVUXNBJIIP-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
CID 97449
Benzenesulfonamide, 4-amino-3-chloro-N-methyl-
CID 211073
5-amino-2-chloro-N,N-diethylbenzene-1-sulfonamide
CID 3779308
N-(3-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341409
2-amino-5-chloro-N-ethylbenzenesulfonamide
CID 9856098
3-Amino-4-chloro-N-(2-fluorophenyl)benzenesulfonamide
CID 3762998
4-amino-N-(3-chloro-4-fluorophenyl)benzene-1-sulfonamide
CID 28938084
4-amino-2-chloro-N-methylbenzene-1-sulfonamide
CID 29790775
N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 849044
N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 852212
3-chloro-N-(2-fluorophenyl)benzenesulfonamide
CID 889615
N-(3-chlorophenyl)-3-fluorobenzenesulfonamide
CID 889823

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide (CID 43258051) is 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide?
The InChIKey is NVSSGVUXNBJIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-2-3-4-5-15-18(16,17)10-7-8(14)6-9(12)11(10)13/h6-7,15H,2-5,14H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 43258051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).