3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H18ClFN2O3S — CID 103051627

IUPAC3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2CCCCC2O)c1F
InChIInChI=1S/C13H18ClFN2O3S/c14-9-5-10(16)13(15)12(6-9)21(19,20)17-7-8-3-1-2-4-11(8)18/h5-6,8,11,17-18H,1-4,7,16H2
InChIKeyBPPULTGYZIYGKA-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 103051627) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID103051627
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2CCCCC2O)c1F
InChIInChI=1S/C13H18ClFN2O3S/c14-9-5-10(16)13(15)12(6-9)21(19,20)17-7-8-3-1-2-4-11(8)18/h5-6,8,11,17-18H,1-4,7,16H2
InChIKeyBPPULTGYZIYGKA-UHFFFAOYSA-N
XLogP1.89
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.89
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

3-amino-5-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylbenzenesulfonamide
CID 114379842
3-amino-5-chloro-2-fluoro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 103051825
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
3-amino-5-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 103051713
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913293
2,4-difluoro-N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzenesulfonamide
CID 97244861
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 103051627) is 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCC2CCCCC2O)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is BPPULTGYZIYGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c14-9-5-10(16)13(15)12(6-9)21(19,20)17-7-8-3-1-2-4-11(8)18/h5-6,8,11,17-18H,1-4,7,16H2.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 336.82 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103051627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).