3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid

C14H15NO4S2 — CID 81354448

IUPAC3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccccc1[C@H](C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-9-5-3-4-6-11(9)10(2)15-21(18,19)12-7-8-20-13(12)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyAVJLWJBWQOBCPQ-JTQLQIEISA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

About 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid

3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 81354448) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID81354448
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccccc1[C@H](C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-9-5-3-4-6-11(9)10(2)15-21(18,19)12-7-8-20-13(12)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyAVJLWJBWQOBCPQ-JTQLQIEISA-N
XLogP2.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61072943
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
3-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 25358247
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
2-[1-(2-methylphenyl)ethylsulfamoyl]acetic acid
CID 43361953
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
CID 79090175
3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47219502

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 81354448) is 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid is Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AVJLWJBWQOBCPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-5-3-4-6-11(9)10(2)15-21(18,19)12-7-8-20-13(12)14(16)17/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 81354448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).