2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide

C8H10Cl2N2O3S2 — CID 36905662

IUPAC2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl2N2O3S2/c1-17(14,15)12-3-2-11-8(13)5-4-6(9)16-7(5)10/h4,12H,2-3H2,1H3,(H,11,13)
InChIKeyKVRWNCHVMOKUMP-UHFFFAOYSA-N
MW317.22 g/mol
LogP1.33
Rot. Bonds5

About 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide

2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide (PubChem CID 36905662) has the molecular formula C8H10Cl2N2O3S2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide
PubChem CID36905662
Molecular FormulaC8H10Cl2N2O3S2
Molecular Weight317.22 g/mol
Exact Mass315.95
IUPAC Name2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl2N2O3S2/c1-17(14,15)12-3-2-11-8(13)5-4-6(9)16-7(5)10/h4,12H,2-3H2,1H3,(H,11,13)
InChIKeyKVRWNCHVMOKUMP-UHFFFAOYSA-N
XLogP1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide (CID 36905662) is 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide is CS(=O)(=O)NCCNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide?
The InChIKey is KVRWNCHVMOKUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O3S2/c1-17(14,15)12-3-2-11-8(13)5-4-6(9)16-7(5)10/h4,12H,2-3H2,1H3,(H,11,13).
What are the key properties of 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide?
2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(methanesulfonamido)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 36905662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).