N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide

C17H13ClFNO2S2 — CID 97013955

IUPACN-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C17H13ClFNO2S2/c18-15-5-2-1-4-14(15)17(12-7-9-13(19)10-8-12)20-24(21,22)16-6-3-11-23-16/h1-11,17,20H/t17-/m0/s1
InChIKeyRNBURZOEUIYIRM-KRWDZBQOSA-N
MW381.88 g/mol
LogP4.61
Rot. Bonds5

About N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide

N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 97013955) has the molecular formula C17H13ClFNO2S2 and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID97013955
Molecular FormulaC17H13ClFNO2S2
Molecular Weight381.88 g/mol
Exact Mass381.01
IUPAC NameN-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C17H13ClFNO2S2/c18-15-5-2-1-4-14(15)17(12-7-9-13(19)10-8-12)20-24(21,22)16-6-3-11-23-16/h1-11,17,20H/t17-/m0/s1
InChIKeyRNBURZOEUIYIRM-KRWDZBQOSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 97013955) is N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1cccs1.
What is the InChIKey of N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is RNBURZOEUIYIRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13ClFNO2S2/c18-15-5-2-1-4-14(15)17(12-7-9-13(19)10-8-12)20-24(21,22)16-6-3-11-23-16/h1-11,17,20H/t17-/m0/s1.
What are the key properties of N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide?
N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 381.88 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-chlorophenyl)-(4-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97013955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).