N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide

C15H10ClNO5S4 — CID 142053557

IUPACN-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide
SMILESO=Cc1ccc(N(S(=O)(=O)c2cccs2)S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C15H10ClNO5S4/c16-13-9-12(6-5-11(13)10-18)17(25(19,20)14-3-1-7-23-14)26(21,22)15-4-2-8-24-15/h1-10H
InChIKeyROOSQPVKKLGFLN-UHFFFAOYSA-N
MW447.97 g/mol
LogP3.86
Rot. Bonds6

About N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide

N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide (PubChem CID 142053557) has the molecular formula C15H10ClNO5S4 and a molecular weight of 447.97 g/mol. Its IUPAC name is N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide
PubChem CID142053557
Molecular FormulaC15H10ClNO5S4
Molecular Weight447.97 g/mol
Exact Mass446.91
IUPAC NameN-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide
SMILESO=Cc1ccc(N(S(=O)(=O)c2cccs2)S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C15H10ClNO5S4/c16-13-9-12(6-5-11(13)10-18)17(25(19,20)14-3-1-7-23-14)26(21,22)15-4-2-8-24-15/h1-10H
InChIKeyROOSQPVKKLGFLN-UHFFFAOYSA-N
XLogP3.86
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
N-[6-[bis(thiophen-2-ylsulfonyl)amino]-1,3-benzothiazol-2-yl]-4-oxocyclohexane-1-carboxamide
CID 175184368
N-[3-(trifluoromethyl)phenyl]-N-(2,4,6-trimethylphenyl)sulfonylthiophene-2-sulfonamide
CID 2438613
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-(1-ethyl-5-formylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide
CID 59411382
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N-ethylidenethiophene-2-sulfonamide
CID 141046508
4-[(5-bromothiophen-3-yl)methyl-methylamino]-2-chlorobenzaldehyde
CID 114064085
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide (CID 142053557) is N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide is O=Cc1ccc(N(S(=O)(=O)c2cccs2)S(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide?
The InChIKey is ROOSQPVKKLGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO5S4/c16-13-9-12(6-5-11(13)10-18)17(25(19,20)14-3-1-7-23-14)26(21,22)15-4-2-8-24-15/h1-10H.
What are the key properties of N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide?
N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide has a molecular weight of 447.97 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-formylphenyl)-N-thiophen-2-ylsulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 142053557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).