N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide

C20H30N4O4S2 — CID 24606064

IUPACN,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)nc1
InChIInChI=1S/C20H30N4O4S2/c1-5-24(6-2)30(27,28)19-11-12-20(22-14-19)21-13-17-7-9-18(10-8-17)15-29(25,26)23-16(3)4/h7-12,14,16,23H,5-6,13,15H2,1-4H3,(H,21,22)
InChIKeyVVTIBXQYOLGPBM-UHFFFAOYSA-N
MW454.62 g/mol
LogP2.55
Rot. Bonds11

About N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide

N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide (PubChem CID 24606064) has the molecular formula C20H30N4O4S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
PubChem CID24606064
Molecular FormulaC20H30N4O4S2
Molecular Weight454.62 g/mol
Exact Mass454.17
IUPAC NameN,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)nc1
InChIInChI=1S/C20H30N4O4S2/c1-5-24(6-2)30(27,28)19-11-12-20(22-14-19)21-13-17-7-9-18(10-8-17)15-29(25,26)23-16(3)4/h7-12,14,16,23H,5-6,13,15H2,1-4H3,(H,21,22)
InChIKeyVVTIBXQYOLGPBM-UHFFFAOYSA-N
XLogP2.55
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-1-[4-[(pyrimidin-2-ylamino)methyl]phenyl]methanesulfonamide
CID 18156175
N-ethyl-N-(2-methylpropyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143975
N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
CID 5267715
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434
N-methyl-4-[[(5-nitro-2-pyridinyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
CID 47982474
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
N-ethyl-6-hydrazinyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79469996
N,N-diethyl-6-(4-fluoroanilino)pyridine-3-sulfonamide
CID 5267789
N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
CID 5267788
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide (CID 24606064) is N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(CS(=O)(=O)NC(C)C)cc2)nc1.
What is the InChIKey of N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
The InChIKey is VVTIBXQYOLGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S2/c1-5-24(6-2)30(27,28)19-11-12-20(22-14-19)21-13-17-7-9-18(10-8-17)15-29(25,26)23-16(3)4/h7-12,14,16,23H,5-6,13,15H2,1-4H3,(H,21,22).
What are the key properties of N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide?
N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide has a molecular weight of 454.62 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 24606064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).