5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide

C12H18ClNO3S2 — CID 12987475

IUPAC5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO3S2/c13-11-6-7-12(18-11)19(16,17)14-10(8-15)9-4-2-1-3-5-9/h6-7,9-10,14-15H,1-5,8H2/t10-/m1/s1
InChIKeyRODSWBSWBVAURQ-SNVBAGLBSA-N
MW323.87 g/mol
LogP2.62
Rot. Bonds5

About 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide

5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide (PubChem CID 12987475) has the molecular formula C12H18ClNO3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide
PubChem CID12987475
Molecular FormulaC12H18ClNO3S2
Molecular Weight323.87 g/mol
Exact Mass323.04
IUPAC Name5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C1CCCCC1)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNO3S2/c13-11-6-7-12(18-11)19(16,17)14-10(8-15)9-4-2-1-3-5-9/h6-7,9-10,14-15H,1-5,8H2/t10-/m1/s1
InChIKeyRODSWBSWBVAURQ-SNVBAGLBSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide (CID 12987475) is 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)C1CCCCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide?
The InChIKey is RODSWBSWBVAURQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClNO3S2/c13-11-6-7-12(18-11)19(16,17)14-10(8-15)9-4-2-1-3-5-9/h6-7,9-10,14-15H,1-5,8H2/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide?
5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide has a molecular weight of 323.87 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 12987475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).