5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide

C16H28ClNO3S2 — CID 22500763

IUPAC5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
SMILESCCCCCCC(CCC)C(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
InChIKeySLBCXBXZOZRPGE-UHFFFAOYSA-N
MW381.99 g/mol
LogP4.43
Rot. Bonds12

About 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide

5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500763) has the molecular formula C16H28ClNO3S2 and a molecular weight of 381.99 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
PubChem CID22500763
Molecular FormulaC16H28ClNO3S2
Molecular Weight381.99 g/mol
Exact Mass381.12
IUPAC Name5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
SMILESCCCCCCC(CCC)C(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
InChIKeySLBCXBXZOZRPGE-UHFFFAOYSA-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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Related Compounds

5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 66929777
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929724
4-chloro-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10090907
5-bromo-N-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
4-bromo-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10387409
5-bromo-N-[(2R,3R)-1-hydroxy-3-methylnonan-2-yl]thiophene-2-sulfonamide
CID 10200862
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide (CID 22500763) is 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide is CCCCCCC(CCC)C(CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide?
The InChIKey is SLBCXBXZOZRPGE-UHFFFAOYSA-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.
What are the key properties of 5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(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-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).