2-(benzenesulfonamido)-2-cyclohexylacetic acid

C14H19NO4S — CID 61015306

IUPAC2-(benzenesulfonamido)-2-cyclohexylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H19NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h2,5-6,9-11,13,15H,1,3-4,7-8H2,(H,16,17)
InChIKeyLFEOOTXTFQJDLD-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.00
Rot. Bonds5

About 2-(benzenesulfonamido)-2-cyclohexylacetic acid

2-(benzenesulfonamido)-2-cyclohexylacetic acid (PubChem CID 61015306) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-(benzenesulfonamido)-2-cyclohexylacetic acid
PubChem CID61015306
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-(benzenesulfonamido)-2-cyclohexylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H19NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h2,5-6,9-11,13,15H,1,3-4,7-8H2,(H,16,17)
InChIKeyLFEOOTXTFQJDLD-UHFFFAOYSA-N
XLogP2.00
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106265465
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
2-cyclopropyl-2-(1H-pyrrol-3-ylsulfonylamino)acetic acid
CID 62695399
2-cyclohexyl-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetic acid
CID 61454315
2-cyclohexyl-2-(difluoromethylsulfonylamino)acetic acid
CID 54901825
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-2-cyclohexylacetic acid?
The IUPAC name of 2-(benzenesulfonamido)-2-cyclohexylacetic acid (CID 61015306) is 2-(benzenesulfonamido)-2-cyclohexylacetic acid.
What is the SMILES notation for 2-(benzenesulfonamido)-2-cyclohexylacetic acid?
The canonical SMILES for 2-(benzenesulfonamido)-2-cyclohexylacetic acid is O=C(O)C(NS(=O)(=O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(benzenesulfonamido)-2-cyclohexylacetic acid?
The InChIKey is LFEOOTXTFQJDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)13(11-7-3-1-4-8-11)15-20(18,19)12-9-5-2-6-10-12/h2,5-6,9-11,13,15H,1,3-4,7-8H2,(H,16,17).
What are the key properties of 2-(benzenesulfonamido)-2-cyclohexylacetic acid?
2-(benzenesulfonamido)-2-cyclohexylacetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-2-cyclohexylacetic acid is sourced from PubChem (CID 61015306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).