N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide

C25H26N4O4S2 — CID 67873381

IUPACN-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
SMILESCN(C1CCCCC1NS(=O)(=O)c1cccc2cnccc12)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C25H26N4O4S2/c1-29(35(32,33)25-11-5-7-19-17-27-15-13-21(19)25)23-9-3-2-8-22(23)28-34(30,31)24-10-4-6-18-16-26-14-12-20(18)24/h4-7,10-17,22-23,28H,2-3,8-9H2,1H3
InChIKeyRNWDEJUHURELKC-UHFFFAOYSA-N
MW510.64 g/mol
LogP3.69
Rot. Bonds6

About N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide

N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide (PubChem CID 67873381) has the molecular formula C25H26N4O4S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
PubChem CID67873381
Molecular FormulaC25H26N4O4S2
Molecular Weight510.64 g/mol
Exact Mass510.14
IUPAC NameN-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
SMILESCN(C1CCCCC1NS(=O)(=O)c1cccc2cnccc12)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C25H26N4O4S2/c1-29(35(32,33)25-11-5-7-19-17-27-15-13-21(19)25)23-9-3-2-8-22(23)28-34(30,31)24-10-4-6-18-16-26-14-12-20(18)24/h4-7,10-17,22-23,28H,2-3,8-9H2,1H3
InChIKeyRNWDEJUHURELKC-UHFFFAOYSA-N
XLogP3.69
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide with MolForge

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Related Compounds

N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
N-[(1R,2R)-2-hydroxycyclohexyl]naphthalene-1-sulfonamide
CID 104922343
N-(2-chloroethyl)-N-methylisoquinoline-5-sulfonamide
CID 63396436
N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
CID 129481887
N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide
CID 23740061
methyl 2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetate
CID 43624250
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
CID 102874432
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
N-(1-bromobutan-2-yl)isoquinoline-5-sulfonamide
CID 113271950
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625

Frequently Asked Questions

What is the IUPAC name of N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide?
The IUPAC name of N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide (CID 67873381) is N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide.
What is the SMILES notation for N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide?
The canonical SMILES for N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide is CN(C1CCCCC1NS(=O)(=O)c1cccc2cnccc12)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide?
The InChIKey is RNWDEJUHURELKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S2/c1-29(35(32,33)25-11-5-7-19-17-27-15-13-21(19)25)23-9-3-2-8-22(23)28-34(30,31)24-10-4-6-18-16-26-14-12-20(18)24/h4-7,10-17,22-23,28H,2-3,8-9H2,1H3.
What are the key properties of N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide?
N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide has a molecular weight of 510.64 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide is sourced from PubChem (CID 67873381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).