N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide

C21H20N4O5S2 — CID 650456

IUPACN-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1)c1ccccn1
InChIInChI=1S/C21H20N4O5S2/c26-21(20-6-1-2-13-22-20)23-16-4-3-5-17(14-16)25-32(29,30)19-11-9-18(10-12-19)31(27,28)24-15-7-8-15/h1-6,9-15,24-25H,7-8H2,(H,23,26)
InChIKeyFXEKYLIMEGOHLI-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.58
Rot. Bonds8

About N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide

N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide (PubChem CID 650456) has the molecular formula C21H20N4O5S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
PubChem CID650456
Molecular FormulaC21H20N4O5S2
Molecular Weight472.55 g/mol
Exact Mass472.09
IUPAC NameN-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1)c1ccccn1
InChIInChI=1S/C21H20N4O5S2/c26-21(20-6-1-2-13-22-20)23-16-4-3-5-17(14-16)25-32(29,30)19-11-9-18(10-12-19)31(27,28)24-15-7-8-15/h1-6,9-15,24-25H,7-8H2,(H,23,26)
InChIKeyFXEKYLIMEGOHLI-UHFFFAOYSA-N
XLogP2.58
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 3956211
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
N-(4-(N-phenylsulfamoyl)phenyl)picolinamide
CID 45111049
N-(4-(N-(2-fluorophenyl)sulfamoyl)phenyl)picolinamide
CID 45111509
N-[4-(1,1,3,3-tetraoxo-1lambda6,3lambda6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 46853681
N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
CID 146014130
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-3-cyclohexyl-1-oxopropan-2-yl)picolinamide
CID 146014348
N-[4-(propylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 1630803
N-[4-(acetylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 2568741
1,4-bis(phenylsulfonyl)-N-(2-pyridinylmethyl)-2-piperazinecarboxamide
CID 3119092
N-(3-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4336266

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide (CID 650456) is N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1)c1ccccn1.
What is the InChIKey of N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
The InChIKey is FXEKYLIMEGOHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S2/c26-21(20-6-1-2-13-22-20)23-16-4-3-5-17(14-16)25-32(29,30)19-11-9-18(10-12-19)31(27,28)24-15-7-8-15/h1-6,9-15,24-25H,7-8H2,(H,23,26).
What are the key properties of N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide?
N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 650456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).