3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid

C14H18FNO4S — CID 79180239

IUPAC3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)CC1
InChIInChI=1S/C14H18FNO4S/c1-9-2-5-11(6-3-9)16-21(19,20)13-7-4-10(14(17)18)8-12(13)15/h4,7-9,11,16H,2-3,5-6H2,1H3,(H,17,18)
InChIKeySLHOFQUZDUMYCI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.38
Rot. Bonds4

About 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid

3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid (PubChem CID 79180239) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
PubChem CID79180239
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)CC1
InChIInChI=1S/C14H18FNO4S/c1-9-2-5-11(6-3-9)16-21(19,20)13-7-4-10(14(17)18)8-12(13)15/h4,7-9,11,16H,2-3,5-6H2,1H3,(H,17,18)
InChIKeySLHOFQUZDUMYCI-UHFFFAOYSA-N
XLogP2.38
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
CID 31966533
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105
3-fluoro-4-[[(1R)-4-methylcyclohex-3-en-1-yl]sulfamoyl]benzoic acid
CID 166302985
3-(cyclopropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 43510377
3-fluoro-4-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
3-amino-4-(cyclopropylsulfamoyl)benzoic acid
CID 81471410

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid (CID 79180239) is 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid is CC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)CC1.
What is the InChIKey of 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
The InChIKey is SLHOFQUZDUMYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-9-2-5-11(6-3-9)16-21(19,20)13-7-4-10(14(17)18)8-12(13)15/h4,7-9,11,16H,2-3,5-6H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid?
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 79180239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).