5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid

C14H15NO4S2 — CID 167982028

IUPAC5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid
SMILESCC(C)c1cc(-c2cc(C(=O)O)cs2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15NO4S2/c1-8(2)9-3-10(5-12(4-9)21(15,18)19)13-6-11(7-20-13)14(16)17/h3-8H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyKDNAGYPTMNTQDN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.88
Rot. Bonds4

About 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid

5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid (PubChem CID 167982028) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid
PubChem CID167982028
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid
SMILESCC(C)c1cc(-c2cc(C(=O)O)cs2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C14H15NO4S2/c1-8(2)9-3-10(5-12(4-9)21(15,18)19)13-6-11(7-20-13)14(16)17/h3-8H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyKDNAGYPTMNTQDN-UHFFFAOYSA-N
XLogP2.88
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid (CID 167982028) is 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid is CC(C)c1cc(-c2cc(C(=O)O)cs2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid?
The InChIKey is KDNAGYPTMNTQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-8(2)9-3-10(5-12(4-9)21(15,18)19)13-6-11(7-20-13)14(16)17/h3-8H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid?
5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-5-sulfamoylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 167982028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).