4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H19NO5S — CID 119229153

IUPAC4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19NO5S/c1-22(20,21)13-5-3-2-4-12(13)14(17)16-11-8-6-10(7-9-11)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyDAMLRESEAOPTMJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.46
Rot. Bonds4

About 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid

4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 119229153) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID119229153
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESCS(=O)(=O)c1ccccc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H19NO5S/c1-22(20,21)13-5-3-2-4-12(13)14(17)16-11-8-6-10(7-9-11)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyDAMLRESEAOPTMJ-UHFFFAOYSA-N
XLogP1.46
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229583
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 18132726
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725538
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 119229153) is 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid is CS(=O)(=O)c1ccccc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DAMLRESEAOPTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-22(20,21)13-5-3-2-4-12(13)14(17)16-11-8-6-10(7-9-11)15(18)19/h2-5,10-11H,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid?
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).