5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide

C11H10ClNO3S3 — CID 99908709

IUPAC5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(N)(=O)=O)sc1[S@@](=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO3S3/c1-7-6-10(19(13,15)16)17-11(7)18(14)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,15,16)/t18-/m0/s1
InChIKeyGLGJJKGRVCOKNB-SFHVURJKSA-N
MW335.86 g/mol
LogP2.52
Rot. Bonds3

About 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide

5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide (PubChem CID 99908709) has the molecular formula C11H10ClNO3S3 and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide
PubChem CID99908709
Molecular FormulaC11H10ClNO3S3
Molecular Weight335.86 g/mol
Exact Mass334.95
IUPAC Name5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(N)(=O)=O)sc1[S@@](=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO3S3/c1-7-6-10(19(13,15)16)17-11(7)18(14)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,15,16)/t18-/m0/s1
InChIKeyGLGJJKGRVCOKNB-SFHVURJKSA-N
XLogP2.52
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide (CID 99908709) is 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(N)(=O)=O)sc1[S@@](=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is GLGJJKGRVCOKNB-SFHVURJKSA-N. The full InChI is InChI=1S/C11H10ClNO3S3/c1-7-6-10(19(13,15)16)17-11(7)18(14)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,15,16)/t18-/m0/s1.
What are the key properties of 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide?
5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 335.86 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-(4-chlorophenyl)sulfinyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 99908709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).