4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid

C18H21NO4S — CID 15895382

IUPAC4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21NO4S/c20-18(21)15-7-5-13(6-8-15)12-19-24(22,23)17-10-9-14-3-1-2-4-16(14)11-17/h1-4,9-11,13,15,19H,5-8,12H2,(H,20,21)/t13-,15+
InChIKeyHQWIIBCOKWZXLP-OTVXOJSOSA-N
MW347.44 g/mol
LogP3.01
Rot. Bonds5

About 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid

4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 15895382) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID15895382
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C18H21NO4S/c20-18(21)15-7-5-13(6-8-15)12-19-24(22,23)17-10-9-14-3-1-2-4-16(14)11-17/h1-4,9-11,13,15,19H,5-8,12H2,(H,20,21)/t13-,15+
InChIKeyHQWIIBCOKWZXLP-OTVXOJSOSA-N
XLogP3.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Naphthalene-2-sulfonamido)butanoic acid
CID 362742
Mmp-2/mmp-9 inhibitor i
CID 10667540
N-[(3,4-dimethylphenyl)sulfonyl]phenylalanine
CID 4249471
4-(((Phenylsulfonyl)amino)methyl)cyclohexanecarboxylic acid
CID 705737
72 kDa type IV collagenase
CID 4222
(Z)-7-[(1R,2S,3S,4S)-3-(Naphthalene-2-sulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
CID 10717385
5-[(3,3-Diphenylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 2555967
N-([1,1'-Biphenyl]-4-sulfonyl)-L-phenylalanine
CID 44372530
(Z)-7-[(1S,2R,3R,4R)-3-(Naphthalene-2-sulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid
CID 10502610
(R)-3-Phenyl-2-(4-phenylethynyl-benzenesulfonylamino)-propionic acid
CID 10621302
(2R)-3-phenyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]propanoic acid
CID 10695165
sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 23673317

Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid (CID 15895382) is 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HQWIIBCOKWZXLP-OTVXOJSOSA-N. The full InChI is InChI=1S/C18H21NO4S/c20-18(21)15-7-5-13(6-8-15)12-19-24(22,23)17-10-9-14-3-1-2-4-16(14)11-17/h1-4,9-11,13,15,19H,5-8,12H2,(H,20,21)/t13-,15+.
What are the key properties of 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 347.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 15895382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).