2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid

C14H19NO4S — CID 4182666

IUPAC2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeyHVHJVTXFWWPGHI-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.10
Rot. Bonds5

About 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid

2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid (PubChem CID 4182666) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid
PubChem CID4182666
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H19NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17)
InChIKeyHVHJVTXFWWPGHI-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-((4-Methylphenyl)sulfonyl)glycine
CID 70653
3-(5,6,7,8-Tetrahydronaphthalene-2-sulfonamido)propanoic acid
CID 4868381
2-(Naphthalene-2-sulfonamido)acetic acid
CID 702481
3-(4-Methylbenzenesulfonamido)propanoic acid
CID 266802
(Biphenyl-4-sulfonylamino)-acetic acid
CID 893637
Biphenylsulfonamide carboxylate, 9
CID 24901479
2-[[1,1'-Biphenyl]-4-sulfonamido]-3-methylbutanoic acid
CID 24936382
Ethyl 2-(4-methylphenylsulfonamido)acetate
CID 230685
Nsc339916
CID 334514
2-(4-Methylbenzenesulfonamido)propanoic acid
CID 362747
N-(biphenyl-4-ylsulfonyl)-D-leucine
CID 25271580
Biphenylsulfonamide carboxylate, 2
CID 24901472

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid (CID 4182666) is 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid?
The InChIKey is HVHJVTXFWWPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11,15H,1-5,10H2,(H,16,17).
What are the key properties of 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid?
2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 4182666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).