3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide

C18H14Cl2N2O2S — CID 66714618

IUPAC3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1ccncc1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H14Cl2N2O2S/c1-12-6-7-21-11-18(12)13-2-4-16(5-3-13)22-25(23,24)17-9-14(19)8-15(20)10-17/h2-11,22H,1H3
InChIKeyHWAOCLIXKGHHAA-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.16
Rot. Bonds4

About 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 66714618) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
PubChem CID66714618
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1ccncc1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H14Cl2N2O2S/c1-12-6-7-21-11-18(12)13-2-4-16(5-3-13)22-25(23,24)17-9-14(19)8-15(20)10-17/h2-11,22H,1H3
InChIKeyHWAOCLIXKGHHAA-UHFFFAOYSA-N
XLogP5.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methyl-3-pyridinyl)phenyl]pyridine-3-sulfonamide
CID 56652325
4-methoxy-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714466
N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
CID 66714284
4-chloro-N-[4-(4-phenyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714521
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376
3,5-dichloro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775753

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide (CID 66714618) is 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide is Cc1ccncc1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is HWAOCLIXKGHHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-12-6-7-21-11-18(12)13-2-4-16(5-3-13)22-25(23,24)17-9-14(19)8-15(20)10-17/h2-11,22H,1H3.
What are the key properties of 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 393.30 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 66714618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).