5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide

C14H22ClNO3S2 — CID 66929976

IUPAC5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide
SMILESC/C=C(\C)C(O)C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H](C)CC
InChIInChI=1S/C14H22ClNO3S2/c1-5-9(3)13(14(17)10(4)6-2)16-21(18,19)12-8-7-11(15)20-12/h6-9,13-14,16-17H,5H2,1-4H3/b10-6+/t9-,13?,14?/m0/s1
InChIKeyUOWQDWOBRYJTHA-ZEXABIQKSA-N
MW351.92 g/mol
LogP3.42
Rot. Bonds7

About 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide

5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide (PubChem CID 66929976) has the molecular formula C14H22ClNO3S2 and a molecular weight of 351.92 g/mol. Its IUPAC name is 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide
PubChem CID66929976
Molecular FormulaC14H22ClNO3S2
Molecular Weight351.92 g/mol
Exact Mass351.07
IUPAC Name5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide
SMILESC/C=C(\C)C(O)C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H](C)CC
InChIInChI=1S/C14H22ClNO3S2/c1-5-9(3)13(14(17)10(4)6-2)16-21(18,19)12-8-7-11(15)20-12/h6-9,13-14,16-17H,5H2,1-4H3/b10-6+/t9-,13?,14?/m0/s1
InChIKeyUOWQDWOBRYJTHA-ZEXABIQKSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
CID 66930253
5-chloro-N-[(E,3S)-5-hydroxy-3-methyldec-7-en-4-yl]thiophene-2-sulfonamide
CID 68699296
5-chloro-N-[(3S,4R)-5-hydroxy-3-methyldec-7-en-4-yl]thiophene-2-sulfonamide
CID 68699299
5-chloro-N-[(E,3S,4S,5R)-5-hydroxy-3-methyldec-7-en-4-yl]thiophene-2-sulfonamide
CID 87542796
5-chloro-N-[(2S,3S)-1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]thiophene-2-sulfonamide
CID 66930087
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-methylpentanamide
CID 78786909
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
CID 87610468
5-bromo-N-[(3S,4R,5R)-5-hydroxy-3-methyloct-7-en-4-yl]thiophene-2-sulfonamide
CID 66929991
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide (CID 66929976) is 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide is C/C=C(\C)C(O)C(NS(=O)(=O)c1ccc(Cl)s1)[C@@H](C)CC.
What is the InChIKey of 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide?
The InChIKey is UOWQDWOBRYJTHA-ZEXABIQKSA-N. The full InChI is InChI=1S/C14H22ClNO3S2/c1-5-9(3)13(14(17)10(4)6-2)16-21(18,19)12-8-7-11(15)20-12/h6-9,13-14,16-17H,5H2,1-4H3/b10-6+/t9-,13?,14?/m0/s1.
What are the key properties of 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide?
5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide has a molecular weight of 351.92 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66929976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).