N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide

C15H12ClNO2S2 — CID 2811646

IUPACN-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C15H12ClNO2S2/c16-12-6-7-15-14(8-12)11(10-20-15)9-17-21(18,19)13-4-2-1-3-5-13/h1-8,10,17H,9H2
InChIKeyMMWFIDGMHOJSBY-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.03
Rot. Bonds4

About N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide

N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide (PubChem CID 2811646) has the molecular formula C15H12ClNO2S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
PubChem CID2811646
Molecular FormulaC15H12ClNO2S2
Molecular Weight337.85 g/mol
Exact Mass337.00
IUPAC NameN-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccccc1
InChIInChI=1S/C15H12ClNO2S2/c16-12-6-7-15-14(8-12)11(10-20-15)9-17-21(18,19)13-4-2-1-3-5-13/h1-8,10,17H,9H2
InChIKeyMMWFIDGMHOJSBY-UHFFFAOYSA-N
XLogP4.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide (CID 2811646) is N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1csc2ccc(Cl)cc12)c1ccccc1.
What is the InChIKey of N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
The InChIKey is MMWFIDGMHOJSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S2/c16-12-6-7-15-14(8-12)11(10-20-15)9-17-21(18,19)13-4-2-1-3-5-13/h1-8,10,17H,9H2.
What are the key properties of N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide?
N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide has a molecular weight of 337.85 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzothiophen-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2811646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).