2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide

C11H15Cl2NO2S2 — CID 6735692

IUPAC2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S2/c1-2-5-14(7-8-3-4-8)18(15,16)9-6-10(12)17-11(9)13/h6,8H,2-5,7H2,1H3
InChIKeyGYTIAJQGTIIZBC-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.87
Rot. Bonds6

About 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide

2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide (PubChem CID 6735692) has the molecular formula C11H15Cl2NO2S2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide
PubChem CID6735692
Molecular FormulaC11H15Cl2NO2S2
Molecular Weight328.29 g/mol
Exact Mass326.99
IUPAC Name2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S2/c1-2-5-14(7-8-3-4-8)18(15,16)9-6-10(12)17-11(9)13/h6,8H,2-5,7H2,1H3
InChIKeyGYTIAJQGTIIZBC-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide (CID 6735692) is 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide is CCCN(CC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide?
The InChIKey is GYTIAJQGTIIZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S2/c1-2-5-14(7-8-3-4-8)18(15,16)9-6-10(12)17-11(9)13/h6,8H,2-5,7H2,1H3.
What are the key properties of 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide?
2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide has a molecular weight of 328.29 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(cyclopropylmethyl)-N-propylthiophene-3-sulfonamide is sourced from PubChem (CID 6735692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).