2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

C14H21FN2O3S — CID 65123084

IUPAC2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H21FN2O3S/c15-11-6-5-7-12(13(11)16)21(19,20)17-10-14(18)8-3-1-2-4-9-14/h5-7,17-18H,1-4,8-10,16H2
InChIKeyHRDIBRNUYPDURH-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide

2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (PubChem CID 65123084) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
PubChem CID65123084
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C14H21FN2O3S/c15-11-6-5-7-12(13(11)16)21(19,20)17-10-14(18)8-3-1-2-4-9-14/h5-7,17-18H,1-4,8-10,16H2
InChIKeyHRDIBRNUYPDURH-UHFFFAOYSA-N
XLogP1.77
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.77
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

2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122738
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzenesulfonamide
CID 65122114
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 116530422
5-amino-N-[(1-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 65103400
2-cyano-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122736
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 65105759
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide (CID 65123084) is 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is Nc1c(F)cccc1S(=O)(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
The InChIKey is HRDIBRNUYPDURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c15-11-6-5-7-12(13(11)16)21(19,20)17-10-14(18)8-3-1-2-4-9-14/h5-7,17-18H,1-4,8-10,16H2.
What are the key properties of 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide?
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65123084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).