N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide

C14H13NO3S4 — CID 73167876

IUPACN-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1cccs1
InChIInChI=1S/C14H13NO3S4/c16-14(10-5-7-19-9-10)12-4-3-11(21-12)8-15-22(17,18)13-2-1-6-20-13/h1-7,9,14-16H,8H2
InChIKeyHMMQUKHQQJYOBY-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.43
Rot. Bonds6

About N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 73167876) has the molecular formula C14H13NO3S4 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID73167876
Molecular FormulaC14H13NO3S4
Molecular Weight371.53 g/mol
Exact Mass370.98
IUPAC NameN-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1cccs1
InChIInChI=1S/C14H13NO3S4/c16-14(10-5-7-19-9-10)12-4-3-11(21-12)8-15-22(17,18)13-2-1-6-20-13/h1-7,9,14-16H,8H2
InChIKeyHMMQUKHQQJYOBY-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide (CID 73167876) is N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1cccs1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is HMMQUKHQQJYOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S4/c16-14(10-5-7-19-9-10)12-4-3-11(21-12)8-15-22(17,18)13-2-1-6-20-13/h1-7,9,14-16H,8H2.
What are the key properties of N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 371.53 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 73167876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).