4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid

C12H10ClNO4S2 — CID 61073401

IUPAC4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)cs1
InChIInChI=1S/C12H10ClNO4S2/c13-9-3-1-2-8(4-9)6-14-20(17,18)10-5-11(12(15)16)19-7-10/h1-5,7,14H,6H2,(H,15,16)
InChIKeyMOOLWKGJRCASPB-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.58
Rot. Bonds5

About 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid

4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61073401) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61073401
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)cs1
InChIInChI=1S/C12H10ClNO4S2/c13-9-3-1-2-8(4-9)6-14-20(17,18)10-5-11(12(15)16)19-7-10/h1-5,7,14H,6H2,(H,15,16)
InChIKeyMOOLWKGJRCASPB-UHFFFAOYSA-N
XLogP2.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328289
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61063461
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61072744
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
N-[2-chloro-4-[(3-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 5016142
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 61073401) is 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2)cs1.
What is the InChIKey of 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MOOLWKGJRCASPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c13-9-3-1-2-8(4-9)6-14-20(17,18)10-5-11(12(15)16)19-7-10/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 331.80 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61073401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).