N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide

C18H24N4O4S2 — CID 55680935

IUPACN-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C18H24N4O4S2/c1-19-27(23,24)16-7-5-6-15(12-16)13-20-18-9-8-17(14-21-18)28(25,26)22-10-3-2-4-11-22/h5-9,12,14,19H,2-4,10-11,13H2,1H3,(H,20,21)
InChIKeyMAFGSMIFKNDVMU-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.78
Rot. Bonds7

About N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide

N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide (PubChem CID 55680935) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
PubChem CID55680935
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1
InChIInChI=1S/C18H24N4O4S2/c1-19-27(23,24)16-7-5-6-15(12-16)13-20-18-9-8-17(14-21-18)28(25,26)22-10-3-2-4-11-22/h5-9,12,14,19H,2-4,10-11,13H2,1H3,(H,20,21)
InChIKeyMAFGSMIFKNDVMU-UHFFFAOYSA-N
XLogP1.78
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-benzyl-5-(4-methylidenepiperidin-1-yl)sulfonylpyridin-2-amine
CID 70304486
N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
N-(2,6-dimethylphenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 9195727
6-[2-(azepan-1-yl)ethylamino]-N-methylpyridine-3-sulfonamide
CID 133351391
N'-(5-piperidin-1-ylsulfonyl-2-pyridinyl)benzenesulfonohydrazide
CID 31580113

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide (CID 55680935) is N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1.
What is the InChIKey of N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
The InChIKey is MAFGSMIFKNDVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-19-27(23,24)16-7-5-6-15(12-16)13-20-18-9-8-17(14-21-18)28(25,26)22-10-3-2-4-11-22/h5-9,12,14,19H,2-4,10-11,13H2,1H3,(H,20,21).
What are the key properties of N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide?
N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide has a molecular weight of 424.55 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 55680935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).