N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide

C14H17ClN2O2S2 — CID 106060431

IUPACN-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-16-9-8-13-6-7-14(20-13)21(18,19)17-12-5-3-4-11(15)10-12/h3-7,10,16-17H,2,8-9H2,1H3
InChIKeyCIAISRJUXKJMNC-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.35
Rot. Bonds7

About N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide

N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106060431) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106060431
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C14H17ClN2O2S2/c1-2-16-9-8-13-6-7-14(20-13)21(18,19)17-12-5-3-4-11(15)10-12/h3-7,10,16-17H,2,8-9H2,1H3
InChIKeyCIAISRJUXKJMNC-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-(4-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106060756
5-[2-(ethylamino)ethyl]-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 106029593
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
N-(3-bromo-2-pyridinyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide
CID 106062129
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066943
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
N-(4-ethylphenyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 107287170
5-[2-(ethylamino)ethyl]-N-(4-methyl-3-pyridinyl)thiophene-2-sulfonamide
CID 106063105
N-(3-chlorophenyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106060490
5-[2-(ethylamino)ethyl]-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018814

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide (CID 106060431) is N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide is CCNCCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is CIAISRJUXKJMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-2-16-9-8-13-6-7-14(20-13)21(18,19)17-12-5-3-4-11(15)10-12/h3-7,10,16-17H,2,8-9H2,1H3.
What are the key properties of N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide?
N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[2-(ethylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106060431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).