2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide

C11H11Cl2NO2S2 — CID 113334782

IUPAC2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NO2S2/c1-2-5-14(7-8-3-4-8)18(15,16)9-6-10(12)17-11(9)13/h1,6,8H,3-5,7H2
InChIKeyBTEFDDJNUSZLGB-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.09
Rot. Bonds5

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

2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide (PubChem CID 113334782) has the molecular formula C11H11Cl2NO2S2 and a molecular weight of 324.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
PubChem CID113334782
Molecular FormulaC11H11Cl2NO2S2
Molecular Weight324.25 g/mol
Exact Mass322.96
IUPAC Name2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H11Cl2NO2S2/c1-2-5-14(7-8-3-4-8)18(15,16)9-6-10(12)17-11(9)13/h1,6,8H,3-5,7H2
InChIKeyBTEFDDJNUSZLGB-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dibromo-N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 115556480
N-(cyclopropylmethyl)-2,4-dimethyl-N-prop-2-ynylbenzenesulfonamide
CID 113334751
N-(cyclopropylmethyl)-5-fluoro-2-methyl-N-prop-2-ynylbenzenesulfonamide
CID 115556481
N-(cyclopropylmethyl)-N-prop-2-ynylbenzenesulfonamide
CID 80965589
5-amino-N-(cyclopropylmethyl)-N-prop-2-ynyl-1,3,4-thiadiazole-2-sulfonamide
CID 113383275
4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
CID 106150787
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 115556504
N-(cyclopropylmethyl)-N-prop-2-ynylcyclopropanesulfonamide
CID 115556536
N-(cyclopropylmethyl)-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 115556438
2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 43577625
N-(cyclopropylmethyl)-N-prop-2-ynylpiperidine-1-sulfonamide
CID 115556534
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide (CID 113334782) is 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide is C#CCN(CC1CC1)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide?
The InChIKey is BTEFDDJNUSZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S2/c1-2-5-14(7-8-3-4-8)18(15,16)9-6-10(12)17-11(9)13/h1,6,8H,3-5,7H2.
What are the key properties of 2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide?
2,5-dichloro-N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-sulfonamide has a molecular weight of 324.25 g/mol, XLogP of 3.09, 5 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-prop-2-ynylthiophene-3-sulfonamide is sourced from PubChem (CID 113334782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).