5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide

C17H16ClNO4S3 — CID 71804676

IUPAC5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C17H16ClNO4S3/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,17,19-20H,10H2,1H3
InChIKeyAXTQAOWFDFWUNJ-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.03
Rot. Bonds7

About 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide

5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 71804676) has the molecular formula C17H16ClNO4S3 and a molecular weight of 429.97 g/mol. Its IUPAC name is 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID71804676
Molecular FormulaC17H16ClNO4S3
Molecular Weight429.97 g/mol
Exact Mass428.99
IUPAC Name5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C17H16ClNO4S3/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,17,19-20H,10H2,1H3
InChIKeyAXTQAOWFDFWUNJ-UHFFFAOYSA-N
XLogP4.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide (CID 71804676) is 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(O)c2cccs2)s1.
What is the InChIKey of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is AXTQAOWFDFWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S3/c1-23-13-6-4-11(18)9-16(13)26(21,22)19-10-12-5-7-15(25-12)17(20)14-3-2-8-24-14/h2-9,17,19-20H,10H2,1H3.
What are the key properties of 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 429.97 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 71804676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).