5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide

C19H22ClNO2S2 — CID 141117908

IUPAC5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H22ClNO2S2/c20-15-8-6-14(7-9-15)18-10-11-19(24-18)25(22,23)21-17-12-16(17)13-4-2-1-3-5-13/h6-11,13,16-17,21H,1-5,12H2/t16-,17+/m0/s1
InChIKeyHHHBPNDOPNNCBQ-DLBZAZTESA-N
MW395.98 g/mol
LogP5.32
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide

5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide (PubChem CID 141117908) has the molecular formula C19H22ClNO2S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide
PubChem CID141117908
Molecular FormulaC19H22ClNO2S2
Molecular Weight395.98 g/mol
Exact Mass395.08
IUPAC Name5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H22ClNO2S2/c20-15-8-6-14(7-9-15)18-10-11-19(24-18)25(22,23)21-17-12-16(17)13-4-2-1-3-5-13/h6-11,13,16-17,21H,1-5,12H2/t16-,17+/m0/s1
InChIKeyHHHBPNDOPNNCBQ-DLBZAZTESA-N
XLogP5.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.98
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide (CID 141117908) is 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide is O=S(=O)(N[C@@H]1C[C@H]1C1CCCCC1)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide?
The InChIKey is HHHBPNDOPNNCBQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22ClNO2S2/c20-15-8-6-14(7-9-15)18-10-11-19(24-18)25(22,23)21-17-12-16(17)13-4-2-1-3-5-13/h6-11,13,16-17,21H,1-5,12H2/t16-,17+/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide?
5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide has a molecular weight of 395.98 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 141117908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).