N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide

C21H23N3O3S — CID 23075817

IUPACN-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCC2CCCC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-10-12-17(13-11-15)28(25,26)24-20-21(27-14-16-6-2-3-7-16)23-19-9-5-4-8-18(19)22-20/h4-5,8-13,16H,2-3,6-7,14H2,1H3,(H,22,24)
InChIKeyNTLUYKAHFOWZQT-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.31
Rot. Bonds6

About N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide

N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075817) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075817
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCC2CCCC2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-10-12-17(13-11-15)28(25,26)24-20-21(27-14-16-6-2-3-7-16)23-19-9-5-4-8-18(19)22-20/h4-5,8-13,16H,2-3,6-7,14H2,1H3,(H,22,24)
InChIKeyNTLUYKAHFOWZQT-UHFFFAOYSA-N
XLogP4.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 58373519
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
N-[4-[(3-propoxyquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 7693406
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
4-methyl-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3656930

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 23075817) is N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCC2CCCC2)cc1.
What is the InChIKey of N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is NTLUYKAHFOWZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-10-12-17(13-11-15)28(25,26)24-20-21(27-14-16-6-2-3-7-16)23-19-9-5-4-8-18(19)22-20/h4-5,8-13,16H,2-3,6-7,14H2,1H3,(H,22,24).
What are the key properties of N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).