5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide

C11H18ClNO2S2 — CID 31481379

IUPAC5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S2/c1-8(2)4-5-9(3)13-17(14,15)11-7-6-10(12)16-11/h6-9,13H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyVXBFHTFNJXCAEA-VIFPVBQESA-N
MW295.86 g/mol
LogP3.50
Rot. Bonds6

About 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide (PubChem CID 31481379) has the molecular formula C11H18ClNO2S2 and a molecular weight of 295.86 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide
PubChem CID31481379
Molecular FormulaC11H18ClNO2S2
Molecular Weight295.86 g/mol
Exact Mass295.05
IUPAC Name5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S2/c1-8(2)4-5-9(3)13-17(14,15)11-7-6-10(12)16-11/h6-9,13H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyVXBFHTFNJXCAEA-VIFPVBQESA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide (CID 31481379) is 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide is CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide?
The InChIKey is VXBFHTFNJXCAEA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18ClNO2S2/c1-8(2)4-5-9(3)13-17(14,15)11-7-6-10(12)16-11/h6-9,13H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide has a molecular weight of 295.86 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-5-methylhexan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 31481379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).