N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide

C14H12ClNO3S3 — CID 91630884

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1csc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClNO3S3/c15-13-5-6-14(21-13)22(18,19)16-7-11(17)10-8-20-12-4-2-1-3-9(10)12/h1-6,8,11,16-17H,7H2
InChIKeyATKUHZPACSYJKC-UHFFFAOYSA-N
MW373.91 g/mol
LogP3.63
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 91630884) has the molecular formula C14H12ClNO3S3 and a molecular weight of 373.91 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide
PubChem CID91630884
Molecular FormulaC14H12ClNO3S3
Molecular Weight373.91 g/mol
Exact Mass372.97
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1csc2ccccc12)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClNO3S3/c15-13-5-6-14(21-13)22(18,19)16-7-11(17)10-8-20-12-4-2-1-3-9(10)12/h1-6,8,11,16-17H,7H2
InChIKeyATKUHZPACSYJKC-UHFFFAOYSA-N
XLogP3.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide (CID 91630884) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(NCC(O)c1csc2ccccc12)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is ATKUHZPACSYJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S3/c15-13-5-6-14(21-13)22(18,19)16-7-11(17)10-8-20-12-4-2-1-3-9(10)12/h1-6,8,11,16-17H,7H2.
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 373.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 91630884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).