N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide

C14H11NO4S4 — CID 4988902

IUPACN-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cscc1S(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H11NO4S4/c16-22(17,11-5-2-1-3-6-11)13-10-20-9-12(13)15-23(18,19)14-7-4-8-21-14/h1-10,15H
InChIKeyMYZZODLMOVZATP-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.44
Rot. Bonds5

About N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide

N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide (PubChem CID 4988902) has the molecular formula C14H11NO4S4 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide
PubChem CID4988902
Molecular FormulaC14H11NO4S4
Molecular Weight385.51 g/mol
Exact Mass384.96
IUPAC NameN-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cscc1S(=O)(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C14H11NO4S4/c16-22(17,11-5-2-1-3-6-11)13-10-20-9-12(13)15-23(18,19)14-7-4-8-21-14/h1-10,15H
InChIKeyMYZZODLMOVZATP-UHFFFAOYSA-N
XLogP3.44
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367
N-fluorothiophene-2-sulfonamide
CID 175398216
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
3-(benzenesulfonyl)-4-methylthiophene
CID 1211761
N-[4-(benzenesulfonyl)thiophen-3-yl]-1-(2-nitrophenyl)methanesulfonamide
CID 3447803
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-(2-pyridin-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 110870510
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide (CID 4988902) is N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cscc1S(=O)(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide?
The InChIKey is MYZZODLMOVZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S4/c16-22(17,11-5-2-1-3-6-11)13-10-20-9-12(13)15-23(18,19)14-7-4-8-21-14/h1-10,15H.
What are the key properties of N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide?
N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide has a molecular weight of 385.51 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonyl)thiophen-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 4988902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).