1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid

C14H18FNO4S — CID 43341837

IUPAC1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCCC1
InChIInChI=1S/C14H18FNO4S/c15-11-6-5-7-12(10-11)21(19,20)16-14(13(17)18)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9H2,(H,17,18)
InChIKeyFMFBEGUDXBGQGT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.28
Rot. Bonds4

About 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid

1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid (PubChem CID 43341837) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
PubChem CID43341837
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCCC1
InChIInChI=1S/C14H18FNO4S/c15-11-6-5-7-12(10-11)21(19,20)16-14(13(17)18)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9H2,(H,17,18)
InChIKeyFMFBEGUDXBGQGT-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 61123263
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
1-[(3-fluorophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)cyclohexane-1-carboxamide
CID 167967831
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361609
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[(3-fluorophenyl)sulfonylamino]-4-methylcyclohexane-1-carbothioamide
CID 61122276
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid (CID 43341837) is 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCCC1.
What is the InChIKey of 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
The InChIKey is FMFBEGUDXBGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c15-11-6-5-7-12(10-11)21(19,20)16-14(13(17)18)8-3-1-2-4-9-14/h5-7,10,16H,1-4,8-9H2,(H,17,18).
What are the key properties of 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).