4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid

C9H11NO5S — CID 62805751

IUPAC4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H11NO5S/c1-5-8(4-7(15-5)9(11)12)16(13,14)10-6-2-3-6/h4,6,10H,2-3H2,1H3,(H,11,12)
InChIKeyNLJMLZJVLMMLGD-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.73
Rot. Bonds4

About 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid

4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid (PubChem CID 62805751) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
PubChem CID62805751
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H11NO5S/c1-5-8(4-7(15-5)9(11)12)16(13,14)10-6-2-3-6/h4,6,10H,2-3H2,1H3,(H,11,12)
InChIKeyNLJMLZJVLMMLGD-UHFFFAOYSA-N
XLogP0.73
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647
4-[(3-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103091364
4-[(3,3-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114543702
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803428
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
4-[(2,2-dimethylcyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 79861610
5-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714939
4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
4-[(2-methoxycyclopentyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805249
4-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 63296235
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-[(3-hydroxycyclopentyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106120479

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid (CID 62805751) is 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is NLJMLZJVLMMLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-5-8(4-7(15-5)9(11)12)16(13,14)10-6-2-3-6/h4,6,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid?
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62805751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).