5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid

C12H17NO4S2 — CID 43091190

IUPAC5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C12H17NO4S2/c14-12(15)9-7-11(18-8-9)19(16,17)13-10-5-3-1-2-4-6-10/h7-8,10,13H,1-6H2,(H,14,15)
InChIKeyBPNLEGSMKQBBLL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.45
Rot. Bonds4

About 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid

5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 43091190) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID43091190
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC Name5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C12H17NO4S2/c14-12(15)9-7-11(18-8-9)19(16,17)13-10-5-3-1-2-4-6-10/h7-8,10,13H,1-6H2,(H,14,15)
InChIKeyBPNLEGSMKQBBLL-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclopentyloxysulfamoyl)thiophene-3-carboxylic acid
CID 83228409
5-(oxolan-3-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80716496
5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 61356204
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
CID 61026859
5-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 80715544
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
2-(cyclohexylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 90044718
3-(cyclohexylsulfamoyl)-4,5-dimethylbenzoic acid
CID 43080100
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
CID 99988461

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid (CID 43091190) is 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is BPNLEGSMKQBBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c14-12(15)9-7-11(18-8-9)19(16,17)13-10-5-3-1-2-4-6-10/h7-8,10,13H,1-6H2,(H,14,15).
What are the key properties of 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid?
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 43091190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).