2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide

C18H15Cl2N3O2S — CID 91630155

IUPAC2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)c(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2S/c1-12-7-18(16(20)9-15(12)19)26(24,25)23-10-13-4-6-22-17(8-13)14-3-2-5-21-11-14/h2-9,11,23H,10H2,1H3
InChIKeyFFCNJMWYAYEFOK-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.24
Rot. Bonds5

About 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide

2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91630155) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID91630155
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC Name2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)c(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3O2S/c1-12-7-18(16(20)9-15(12)19)26(24,25)23-10-13-4-6-22-17(8-13)14-3-2-5-21-11-14/h2-9,11,23H,10H2,1H3
InChIKeyFFCNJMWYAYEFOK-UHFFFAOYSA-N
XLogP4.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 121018139
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
2,4-dichloro-5-methyl-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 25041194
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
2,4-dichloro-N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-5-methylbenzenesulfonamide
CID 121117938
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638
5-chloro-4-methyl-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]pyridin-2-amine
CID 167983318
2,4-dichloro-N-[[4-(difluoromethoxy)phenyl]methyl]-5-methylbenzenesulfonamide
CID 3731125
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 91630155) is 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2ccnc(-c3cccnc3)c2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is FFCNJMWYAYEFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-12-7-18(16(20)9-15(12)19)26(24,25)23-10-13-4-6-22-17(8-13)14-3-2-5-21-11-14/h2-9,11,23H,10H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide?
2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 408.31 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-[(2-pyridin-3-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91630155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).