5-chloro-N-propan-2-ylthiophene-2-sulfonamide

C7H10ClNO2S2 — CID 6621293

IUPAC5-chloro-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNO2S2/c1-5(2)9-13(10,11)7-4-3-6(8)12-7/h3-5,9H,1-2H3
InChIKeyNXXGRXJZCBVGCS-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.09
Rot. Bonds3

About 5-chloro-N-propan-2-ylthiophene-2-sulfonamide

5-chloro-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 6621293) has the molecular formula C7H10ClNO2S2 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID6621293
Molecular FormulaC7H10ClNO2S2
Molecular Weight239.75 g/mol
Exact Mass238.98
IUPAC Name5-chloro-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNO2S2/c1-5(2)9-13(10,11)7-4-3-6(8)12-7/h3-5,9H,1-2H3
InChIKeyNXXGRXJZCBVGCS-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-propan-2-ylthiophene-2-sulfonamide (CID 6621293) is 5-chloro-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-propan-2-ylthiophene-2-sulfonamide is CC(C)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is NXXGRXJZCBVGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S2/c1-5(2)9-13(10,11)7-4-3-6(8)12-7/h3-5,9H,1-2H3.
What are the key properties of 5-chloro-N-propan-2-ylthiophene-2-sulfonamide?
5-chloro-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 239.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 6621293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).