N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide

C13H10ClNO2S3 — CID 2811652

IUPACN-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1cccs1
InChIInChI=1S/C13H10ClNO2S3/c14-10-3-4-12-11(6-10)9(8-19-12)7-15-20(16,17)13-2-1-5-18-13/h1-6,8,15H,7H2
InChIKeyUDKKIAVCBHPMOR-UHFFFAOYSA-N
MW343.88 g/mol
LogP4.09
Rot. Bonds4

About N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide

N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 2811652) has the molecular formula C13H10ClNO2S3 and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID2811652
Molecular FormulaC13H10ClNO2S3
Molecular Weight343.88 g/mol
Exact Mass342.96
IUPAC NameN-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1csc2ccc(Cl)cc12)c1cccs1
InChIInChI=1S/C13H10ClNO2S3/c14-10-3-4-12-11(6-10)9(8-19-12)7-15-20(16,17)13-2-1-5-18-13/h1-6,8,15H,7H2
InChIKeyUDKKIAVCBHPMOR-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide (CID 2811652) is N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1csc2ccc(Cl)cc12)c1cccs1.
What is the InChIKey of N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is UDKKIAVCBHPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S3/c14-10-3-4-12-11(6-10)9(8-19-12)7-15-20(16,17)13-2-1-5-18-13/h1-6,8,15H,7H2.
What are the key properties of N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide?
N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 343.88 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzothiophen-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2811652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).