5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide

C12H16ClFN2O2S — CID 43370937

IUPAC5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H16ClFN2O2S/c13-10-5-9(15)6-11(12(10)14)19(17,18)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7,15H2
InChIKeyCEGCBIOWHZCLNZ-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.53
Rot. Bonds4

About 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide

5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide (PubChem CID 43370937) has the molecular formula C12H16ClFN2O2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
PubChem CID43370937
Molecular FormulaC12H16ClFN2O2S
Molecular Weight306.79 g/mol
Exact Mass306.06
IUPAC Name5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCC2CCCC2)c1
InChIInChI=1S/C12H16ClFN2O2S/c13-10-5-9(15)6-11(12(10)14)19(17,18)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7,15H2
InChIKeyCEGCBIOWHZCLNZ-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294823
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
5-amino-2,3-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119438
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
5-amino-2-fluoro-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 80645574
5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide (CID 43370937) is 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)NCC2CCCC2)c1.
What is the InChIKey of 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide?
The InChIKey is CEGCBIOWHZCLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2S/c13-10-5-9(15)6-11(12(10)14)19(17,18)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7,15H2.
What are the key properties of 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide?
5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide has a molecular weight of 306.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43370937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).