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

C14H12ClNO3S4 — CID 121133888

IUPAC5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClNO3S4/c15-12-3-4-13(22-12)23(18,19)16-7-10-1-2-11(21-10)14(17)9-5-6-20-8-9/h1-6,8,14,16-17H,7H2
InChIKeyVZTYHFXEFVDARS-UHFFFAOYSA-N
MW405.98 g/mol
LogP4.08
Rot. Bonds6

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

5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 121133888) has the molecular formula C14H12ClNO3S4 and a molecular weight of 405.98 g/mol. Its IUPAC name is 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID121133888
Molecular FormulaC14H12ClNO3S4
Molecular Weight405.98 g/mol
Exact Mass404.94
IUPAC Name5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClNO3S4/c15-12-3-4-13(22-12)23(18,19)16-7-10-1-2-11(21-10)14(17)9-5-6-20-8-9/h1-6,8,14,16-17H,7H2
InChIKeyVZTYHFXEFVDARS-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.98
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
CID 121133907
4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 99882730
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
CID 121133865
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 121133703
2-(2-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133766
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
2-chloro-4-fluoro-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 99882670
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide (CID 121133888) is 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(C(O)c2ccsc2)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is VZTYHFXEFVDARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S4/c15-12-3-4-13(22-12)23(18,19)16-7-10-1-2-11(21-10)14(17)9-5-6-20-8-9/h1-6,8,14,16-17H,7H2.
What are the key properties of 5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 405.98 g/mol, XLogP of 4.08, 6 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-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 121133888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).