N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide

C14H17ClN2O2S2 — CID 106060490

IUPACN-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-6-16-9-11-7-14(20-10-11)21(18,19)17-13-5-3-4-12(15)8-13/h3-5,7-8,10,16-17H,2,6,9H2,1H3
InChIKeyLZPQUJGZFRERKK-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.70
Rot. Bonds7

About N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide

N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106060490) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106060490
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-6-16-9-11-7-14(20-10-11)21(18,19)17-13-5-3-4-12(15)8-13/h3-5,7-8,10,16-17H,2,6,9H2,1H3
InChIKeyLZPQUJGZFRERKK-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106060545
N-(2-bromophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061246
N-[3-(methoxymethyl)phenyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106002803
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060431
N-(3-fluorophenyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106060564
N-(1-methoxybutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106068312
N-(3-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106066323
N-(4-bromo-3-fluorophenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106067102
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide (CID 106060490) is N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1csc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is LZPQUJGZFRERKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-2-6-16-9-11-7-14(20-10-11)21(18,19)17-13-5-3-4-12(15)8-13/h3-5,7-8,10,16-17H,2,6,9H2,1H3.
What are the key properties of N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide?
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106060490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).