5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide

C16H28ClNO3S2 — CID 10110420

IUPAC5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
SMILESCCCCCC[C@@H](CCC)[C@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H28ClNO3S2/c1-3-5-6-7-9-13(8-4-2)14(12-19)18-23(20,21)16-11-10-15(17)22-16/h10-11,13-14,18-19H,3-9,12H2,1-2H3/t13-,14+/m1/s1
InChIKeySLBCXBXZOZRPGE-KGLIPLIRSA-N
MW381.99 g/mol
LogP4.43
Rot. Bonds12

About 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide (PubChem CID 10110420) has the molecular formula C16H28ClNO3S2 and a molecular weight of 381.99 g/mol. Its IUPAC name is 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
PubChem CID10110420
Molecular FormulaC16H28ClNO3S2
Molecular Weight381.99 g/mol
Exact Mass381.12
IUPAC Name5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
SMILESCCCCCC[C@@H](CCC)[C@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H28ClNO3S2/c1-3-5-6-7-9-13(8-4-2)14(12-19)18-23(20,21)16-11-10-15(17)22-16/h10-11,13-14,18-19H,3-9,12H2,1-2H3/t13-,14+/m1/s1
InChIKeySLBCXBXZOZRPGE-KGLIPLIRSA-N
XLogP4.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.99
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide (CID 10110420) is 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide is CCCCCC[C@@H](CCC)[C@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide?
The InChIKey is SLBCXBXZOZRPGE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H28ClNO3S2/c1-3-5-6-7-9-13(8-4-2)14(12-19)18-23(20,21)16-11-10-15(17)22-16/h10-11,13-14,18-19H,3-9,12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide has a molecular weight of 381.99 g/mol, XLogP of 4.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10110420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).