4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide

C18H17ClN4O2S — CID 113027726

IUPAC4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3ccccn3)cn2)ccc1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-13-10-16(6-7-17(13)19)26(24,25)23-18-8-5-15(12-22-18)21-11-14-4-2-3-9-20-14/h2-10,12,21H,11H2,1H3,(H,22,23)
InChIKeyCAJHLJGYTNOASB-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.85
Rot. Bonds6

About 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide

4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113027726) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113027726
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NCc3ccccn3)cn2)ccc1Cl
InChIInChI=1S/C18H17ClN4O2S/c1-13-10-16(6-7-17(13)19)26(24,25)23-18-8-5-15(12-22-18)21-11-14-4-2-3-9-20-14/h2-10,12,21H,11H2,1H3,(H,22,23)
InChIKeyCAJHLJGYTNOASB-UHFFFAOYSA-N
XLogP3.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023662
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696
4-chloro-3-methyl-N-[6-(propylamino)-3-pyridinyl]benzenesulfonamide
CID 113009140
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
4-chloro-3-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983096
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide (CID 113027726) is 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NCc3ccccn3)cn2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is CAJHLJGYTNOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-13-10-16(6-7-17(13)19)26(24,25)23-18-8-5-15(12-22-18)21-11-14-4-2-3-9-20-14/h2-10,12,21H,11H2,1H3,(H,22,23).
What are the key properties of 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide?
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113027726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).