5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide

C20H20ClNO3S2 — CID 66929809

IUPAC5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
SMILESC[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H20ClNO3S2/c1-14(15-7-9-17(10-8-15)16-5-3-2-4-6-16)18(13-23)22-27(24,25)20-12-11-19(21)26-20/h2-12,14,18,22-23H,13H2,1H3/t14-,18-/m1/s1
InChIKeyAADWAFOMPNNPJW-RDTXWAMCSA-N
MW421.97 g/mol
LogP4.51
Rot. Bonds7

About 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide (PubChem CID 66929809) has the molecular formula C20H20ClNO3S2 and a molecular weight of 421.97 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
PubChem CID66929809
Molecular FormulaC20H20ClNO3S2
Molecular Weight421.97 g/mol
Exact Mass421.06
IUPAC Name5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide
SMILESC[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H20ClNO3S2/c1-14(15-7-9-17(10-8-15)16-5-3-2-4-6-16)18(13-23)22-27(24,25)20-12-11-19(21)26-20/h2-12,14,18,22-23H,13H2,1H3/t14-,18-/m1/s1
InChIKeyAADWAFOMPNNPJW-RDTXWAMCSA-N
XLogP4.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 22500888
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
5-chloro-N-(1-hydroxy-3-phenylmethoxybutan-2-yl)thiophene-2-sulfonamide
CID 22500794
(2R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751001
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 66929777
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
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 66929668
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
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide (CID 66929809) is 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide is C[C@H](c1ccc(-c2ccccc2)cc1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide?
The InChIKey is AADWAFOMPNNPJW-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H20ClNO3S2/c1-14(15-7-9-17(10-8-15)16-5-3-2-4-6-16)18(13-23)22-27(24,25)20-12-11-19(21)26-20/h2-12,14,18,22-23H,13H2,1H3/t14-,18-/m1/s1.
What are the key properties of 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide has a molecular weight of 421.97 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S,3R)-1-hydroxy-3-(4-phenylphenyl)butan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66929809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).