2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

C14H21FN2O3S — CID 65115559

IUPAC2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C14H21FN2O3S/c1-10-4-6-14(18,7-5-10)9-17-21(19,20)13-3-2-11(15)8-12(13)16/h2-3,8,10,17-18H,4-7,9,16H2,1H3
InChIKeyDGMTXWBZHSBFNP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.63
Rot. Bonds4

About 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65115559) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65115559
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C14H21FN2O3S/c1-10-4-6-14(18,7-5-10)9-17-21(19,20)13-3-2-11(15)8-12(13)16/h2-3,8,10,17-18H,4-7,9,16H2,1H3
InChIKeyDGMTXWBZHSBFNP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115078
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
2-amino-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 113463613
2-bromo-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65110234
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
1-[[(2,4-difluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115762
4-fluoro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methylbenzenesulfonamide
CID 146080228

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (CID 65115559) is 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(O)(CNS(=O)(=O)c2ccc(F)cc2N)CC1.
What is the InChIKey of 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is DGMTXWBZHSBFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10-4-6-14(18,7-5-10)9-17-21(19,20)13-3-2-11(15)8-12(13)16/h2-3,8,10,17-18H,4-7,9,16H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65115559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).