2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide

C7H10Cl2N2O4S3 — CID 61132382

IUPAC2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H10Cl2N2O4S3/c8-6-4-5(7(9)16-6)18(14,15)11-2-1-3-17(10,12)13/h4,11H,1-3H2,(H2,10,12,13)
InChIKeyOZTPIDAQPRINDO-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.01
Rot. Bonds6

About 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide (PubChem CID 61132382) has the molecular formula C7H10Cl2N2O4S3 and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
PubChem CID61132382
Molecular FormulaC7H10Cl2N2O4S3
Molecular Weight353.27 g/mol
Exact Mass351.92
IUPAC Name2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H10Cl2N2O4S3/c8-6-4-5(7(9)16-6)18(14,15)11-2-1-3-17(10,12)13/h4,11H,1-3H2,(H2,10,12,13)
InChIKeyOZTPIDAQPRINDO-UHFFFAOYSA-N
XLogP1.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167116
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
2,5-dichloro-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-sulfonamide
CID 39792284
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
methyl 6-[(2,5-dichlorothiophen-3-yl)sulfonylamino]hexanoate
CID 43405598
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
N-[2-(2-bromoethoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 114296020
N-[2-(4-aminophenoxy)ethyl]-2,5-dichlorothiophene-3-sulfonamide
CID 61031745
N-[[4-(aminomethyl)cyclohexyl]methyl]-2,5-dichlorothiophene-3-sulfonamide
CID 71213402
2,5-dichloro-N-[(3,5-dichlorophenyl)methyl]thiophene-3-sulfonamide
CID 3871882

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide (CID 61132382) is 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide is NS(=O)(=O)CCCNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide?
The InChIKey is OZTPIDAQPRINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O4S3/c8-6-4-5(7(9)16-6)18(14,15)11-2-1-3-17(10,12)13/h4,11H,1-3H2,(H2,10,12,13).
What are the key properties of 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide has a molecular weight of 353.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-sulfamoylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 61132382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).