5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide

C11H11ClN2O2S2 — CID 43155736

IUPAC5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2O2S2/c12-8-1-3-9(4-2-8)14-18(15,16)11-6-5-10(7-13)17-11/h1-6,14H,7,13H2
InChIKeyZMHALJKRHMROJU-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.66
Rot. Bonds4

About 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide

5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide (PubChem CID 43155736) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
PubChem CID43155736
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2O2S2/c12-8-1-3-9(4-2-8)14-18(15,16)11-6-5-10(7-13)17-11/h1-6,14H,7,13H2
InChIKeyZMHALJKRHMROJU-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43155731
N-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
CID 43520942
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide (CID 43155736) is 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide?
The InChIKey is ZMHALJKRHMROJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-8-1-3-9(4-2-8)14-18(15,16)11-6-5-10(7-13)17-11/h1-6,14H,7,13H2.
What are the key properties of 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide?
5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-chlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43155736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).