5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide

C11H18ClNO3S2 — CID 66930253

IUPAC5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H](C)O
InChIInChI=1S/C11H18ClNO3S2/c1-4-7(2)11(8(3)14)13-18(15,16)10-6-5-9(12)17-10/h5-8,11,13-14H,4H2,1-3H3/t7-,8+,11-/m0/s1
InChIKeyFWLUJMNHKIQJEN-RNSXUZJQSA-N
MW311.86 g/mol
LogP2.48
Rot. Bonds6

About 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide

5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide (PubChem CID 66930253) has the molecular formula C11H18ClNO3S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
PubChem CID66930253
Molecular FormulaC11H18ClNO3S2
Molecular Weight311.86 g/mol
Exact Mass311.04
IUPAC Name5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H](C)O
InChIInChI=1S/C11H18ClNO3S2/c1-4-7(2)11(8(3)14)13-18(15,16)10-6-5-9(12)17-10/h5-8,11,13-14H,4H2,1-3H3/t7-,8+,11-/m0/s1
InChIKeyFWLUJMNHKIQJEN-RNSXUZJQSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

5-chloro-N-[(E,3S)-5-hydroxy-3,6-dimethyloct-6-en-4-yl]thiophene-2-sulfonamide
CID 66929976
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
sodium;5-chloro-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide;sulfuric acid
CID 87610468
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260
5-bromo-N-[(3S,4R,5R)-5-hydroxy-3-methyloct-7-en-4-yl]thiophene-2-sulfonamide
CID 66929991
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide (CID 66930253) is 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide is CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)[C@@H](C)O.
What is the InChIKey of 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide?
The InChIKey is FWLUJMNHKIQJEN-RNSXUZJQSA-N. The full InChI is InChI=1S/C11H18ClNO3S2/c1-4-7(2)11(8(3)14)13-18(15,16)10-6-5-9(12)17-10/h5-8,11,13-14H,4H2,1-3H3/t7-,8+,11-/m0/s1.
What are the key properties of 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R,3S,4S)-2-hydroxy-4-methylhexan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66930253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).