3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid

C15H18N2O5S — CID 166289255

IUPAC3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid
SMILESCn1ccc2cc(S(=O)(=O)NC3(C(=O)O)CCCOC3)ccc21
InChIInChI=1S/C15H18N2O5S/c1-17-7-5-11-9-12(3-4-13(11)17)23(20,21)16-15(14(18)19)6-2-8-22-10-15/h3-5,7,9,16H,2,6,8,10H2,1H3,(H,18,19)
InChIKeyHXLOWHNXAKMMQF-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.09
Rot. Bonds4

About 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid

3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid (PubChem CID 166289255) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid
PubChem CID166289255
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid
SMILESCn1ccc2cc(S(=O)(=O)NC3(C(=O)O)CCCOC3)ccc21
InChIInChI=1S/C15H18N2O5S/c1-17-7-5-11-9-12(3-4-13(11)17)23(20,21)16-15(14(18)19)6-2-8-22-10-15/h3-5,7,9,16H,2,6,8,10H2,1H3,(H,18,19)
InChIKeyHXLOWHNXAKMMQF-UHFFFAOYSA-N
XLogP1.09
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 64888281
3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289254
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
CID 96802129
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 50744365
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid?
The IUPAC name of 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid (CID 166289255) is 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid.
What is the SMILES notation for 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid?
The canonical SMILES for 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid is Cn1ccc2cc(S(=O)(=O)NC3(C(=O)O)CCCOC3)ccc21.
What is the InChIKey of 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid?
The InChIKey is HXLOWHNXAKMMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-17-7-5-11-9-12(3-4-13(11)17)23(20,21)16-15(14(18)19)6-2-8-22-10-15/h3-5,7,9,16H,2,6,8,10H2,1H3,(H,18,19).
What are the key properties of 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid?
3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid is sourced from PubChem (CID 166289255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).