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

C16H20ClNO3S2 — CID 66930190

IUPAC5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
SMILESCCC[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H20ClNO3S2/c1-2-6-13(12-7-4-3-5-8-12)14(11-19)18-23(20,21)16-10-9-15(17)22-16/h3-5,7-10,13-14,18-19H,2,6,11H2,1H3/t13-,14+/m0/s1
InChIKeyCAMLIKVIEVGUST-UONOGXRCSA-N
MW373.93 g/mol
LogP3.62
Rot. Bonds8

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

5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide (PubChem CID 66930190) has the molecular formula C16H20ClNO3S2 and a molecular weight of 373.93 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
PubChem CID66930190
Molecular FormulaC16H20ClNO3S2
Molecular Weight373.93 g/mol
Exact Mass373.06
IUPAC Name5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
SMILESCCC[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H20ClNO3S2/c1-2-6-13(12-7-4-3-5-8-12)14(11-19)18-23(20,21)16-10-9-15(17)22-16/h3-5,7-10,13-14,18-19H,2,6,11H2,1H3/t13-,14+/m0/s1
InChIKeyCAMLIKVIEVGUST-UONOGXRCSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
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5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
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5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
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5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
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5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide (CID 66930190) is 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide is CCC[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide?
The InChIKey is CAMLIKVIEVGUST-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20ClNO3S2/c1-2-6-13(12-7-4-3-5-8-12)14(11-19)18-23(20,21)16-10-9-15(17)22-16/h3-5,7-10,13-14,18-19H,2,6,11H2,1H3/t13-,14+/m0/s1.
What are the key properties of 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide has a molecular weight of 373.93 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66930190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).