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

C19H18ClNO3S2 — CID 44571760

IUPAC5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClNO3S2/c20-17-11-12-18(25-17)26(23,24)21-16(13-22)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16,19,21-22H,13H2/t16-/m1/s1
InChIKeyLATPLQRCQYENSK-MRXNPFEDSA-N
MW407.94 g/mol
LogP3.87
Rot. Bonds7

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

5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide (PubChem CID 44571760) has the molecular formula C19H18ClNO3S2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide
PubChem CID44571760
Molecular FormulaC19H18ClNO3S2
Molecular Weight407.94 g/mol
Exact Mass407.04
IUPAC Name5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@H](CO)C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClNO3S2/c20-17-11-12-18(25-17)26(23,24)21-16(13-22)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16,19,21-22H,13H2/t16-/m1/s1
InChIKeyLATPLQRCQYENSK-MRXNPFEDSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide (CID 44571760) is 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide is O=S(=O)(N[C@H](CO)C(c1ccccc1)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is LATPLQRCQYENSK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClNO3S2/c20-17-11-12-18(25-17)26(23,24)21-16(13-22)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,16,19,21-22H,13H2/t16-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 407.94 g/mol, XLogP of 3.87, 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)-3-hydroxy-1,1-diphenylpropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 44571760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).