2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide

C16H13Cl2N3O2S2 — CID 17394882

IUPAC2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
SMILESCn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H13Cl2N3O2S2/c1-21-9-8-19-16(21)24-13-5-3-12(4-6-13)20-25(22,23)15-10-11(17)2-7-14(15)18/h2-10,20H,1H3
InChIKeyDGASHPDQYLXDJF-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.68
Rot. Bonds5

About 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide

2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide (PubChem CID 17394882) has the molecular formula C16H13Cl2N3O2S2 and a molecular weight of 414.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
PubChem CID17394882
Molecular FormulaC16H13Cl2N3O2S2
Molecular Weight414.34 g/mol
Exact Mass412.98
IUPAC Name2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
SMILESCn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H13Cl2N3O2S2/c1-21-9-8-19-16(21)24-13-5-3-12(4-6-13)20-25(22,23)15-10-11(17)2-7-14(15)18/h2-10,20H,1H3
InChIKeyDGASHPDQYLXDJF-UHFFFAOYSA-N
XLogP4.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]phenyl]-1-methylimidazole-4-sulfonamide
CID 2812828
3,5-dichloro-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 72547282
N-(3-chlorophenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 5048540
4-chloro-2-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582026
N-(4-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 3650859
3,4-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582017
4-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 18133369
3-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 18133370
2-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 18133371
3,5-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 25416983
2,6-difluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 36002558
3-chloro-2-fluoro-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 56461376

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide (CID 17394882) is 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide is Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
The InChIKey is DGASHPDQYLXDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S2/c1-21-9-8-19-16(21)24-13-5-3-12(4-6-13)20-25(22,23)15-10-11(17)2-7-14(15)18/h2-10,20H,1H3.
What are the key properties of 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide?
2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide has a molecular weight of 414.34 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide is sourced from PubChem (CID 17394882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).