4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C15H21NO5S — CID 136588698

IUPAC4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCO[C@@H](C)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C15H21NO5S/c1-10(21-2)9-16-22(19,20)14-8-12(15(17)18)7-11-5-3-4-6-13(11)14/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyXJCAILOFEJDYAQ-JTQLQIEISA-N
MW327.40 g/mol
LogP1.58
Rot. Bonds6

About 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 136588698) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID136588698
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESCO[C@@H](C)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C15H21NO5S/c1-10(21-2)9-16-22(19,20)14-8-12(15(17)18)7-11-5-3-4-6-13(11)14/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyXJCAILOFEJDYAQ-JTQLQIEISA-N
XLogP1.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid with MolForge

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Related Compounds

3-amino-4-(2-methoxypropylsulfamoyl)benzoic acid
CID 102694397
7-[(4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121307
7-[(2-propan-2-ylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 60533204
7-[(5-methyl-1,2-thiazol-3-yl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 166266051
7-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121311
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 65033957
7-[(3-chlorophenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121308
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 136588698) is 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is CO[C@@H](C)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2.
What is the InChIKey of 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is XJCAILOFEJDYAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21NO5S/c1-10(21-2)9-16-22(19,20)14-8-12(15(17)18)7-11-5-3-4-6-13(11)14/h7-8,10,16H,3-6,9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 327.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-methoxypropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 136588698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).