N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide

C11H10ClNO2S2 — CID 880604

IUPACN-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H10ClNO2S2/c12-10-5-3-9(4-6-10)8-13-17(14,15)11-2-1-7-16-11/h1-7,13H,8H2
InChIKeyWBMNGTRIUWSBTP-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.88
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide

N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 880604) has the molecular formula C11H10ClNO2S2 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID880604
Molecular FormulaC11H10ClNO2S2
Molecular Weight287.79 g/mol
Exact Mass286.98
IUPAC NameN-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H10ClNO2S2/c12-10-5-3-9(4-6-10)8-13-17(14,15)11-2-1-7-16-11/h1-7,13H,8H2
InChIKeyWBMNGTRIUWSBTP-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
5-[(4-Chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819875
N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4788611
N-[2-(4-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 6470169
4-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]benzenesulfonamide
CID 141518719
4-[2-(4-Chlorophenyl)ethylsulfamoyl]thiophene-2-carboxamide
CID 20900804
5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 2098655
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide (CID 880604) is N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is WBMNGTRIUWSBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S2/c12-10-5-3-9(4-6-10)8-13-17(14,15)11-2-1-7-16-11/h1-7,13H,8H2.
What are the key properties of N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide?
N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 287.79 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 880604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).