4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide

C17H11Cl3N2O2S2 — CID 2746625

IUPAC4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N2O2S2/c18-11-5-7-12(8-6-11)26(23,24)22-15-3-1-2-4-16(15)25-17-13(19)9-21-10-14(17)20/h1-10,22H
InChIKeyCTCNNTHRMYVCIF-UHFFFAOYSA-N
MW445.78 g/mol
LogP5.99
Rot. Bonds5

About 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide

4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide (PubChem CID 2746625) has the molecular formula C17H11Cl3N2O2S2 and a molecular weight of 445.78 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
PubChem CID2746625
Molecular FormulaC17H11Cl3N2O2S2
Molecular Weight445.78 g/mol
Exact Mass443.93
IUPAC Name4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N2O2S2/c18-11-5-7-12(8-6-11)26(23,24)22-15-3-1-2-4-16(15)25-17-13(19)9-21-10-14(17)20/h1-10,22H
InChIKeyCTCNNTHRMYVCIF-UHFFFAOYSA-N
XLogP5.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide (CID 2746625) is 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1Sc1c(Cl)cncc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
The InChIKey is CTCNNTHRMYVCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2S2/c18-11-5-7-12(8-6-11)26(23,24)22-15-3-1-2-4-16(15)25-17-13(19)9-21-10-14(17)20/h1-10,22H.
What are the key properties of 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide?
4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide has a molecular weight of 445.78 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3,5-dichloro-4-pyridinyl)sulfanyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 2746625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).