2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide

C9H11Cl2NO3S2 — CID 43577625

IUPAC2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(CCO)C1CC1
InChIInChI=1S/C9H11Cl2NO3S2/c10-8-5-7(9(11)16-8)17(14,15)12(3-4-13)6-1-2-6/h5-6,13H,1-4H2
InChIKeyYGRPVAZKVDXGJX-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.20
Rot. Bonds5

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

2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide (PubChem CID 43577625) has the molecular formula C9H11Cl2NO3S2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
PubChem CID43577625
Molecular FormulaC9H11Cl2NO3S2
Molecular Weight316.23 g/mol
Exact Mass314.96
IUPAC Name2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N(CCO)C1CC1
InChIInChI=1S/C9H11Cl2NO3S2/c10-8-5-7(9(11)16-8)17(14,15)12(3-4-13)6-1-2-6/h5-6,13H,1-4H2
InChIKeyYGRPVAZKVDXGJX-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide (CID 43577625) is 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide is O=S(=O)(c1cc(Cl)sc1Cl)N(CCO)C1CC1.
What is the InChIKey of 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The InChIKey is YGRPVAZKVDXGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3S2/c10-8-5-7(9(11)16-8)17(14,15)12(3-4-13)6-1-2-6/h5-6,13H,1-4H2.
What are the key properties of 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide has a molecular weight of 316.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 43577625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).