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

C20H22N4O2S — CID 7456715

IUPACN-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC2CCCC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-14-10-12-16(13-11-14)27(25,26)24-20-19(21-15-6-2-3-7-15)22-17-8-4-5-9-18(17)23-20/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,21,22)(H,23,24)
InChIKeyVOJKRQRUDVKJGZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.09
Rot. Bonds5

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

N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 7456715) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
PubChem CID7456715
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC2CCCC2)cc1
InChIInChI=1S/C20H22N4O2S/c1-14-10-12-16(13-11-14)27(25,26)24-20-19(21-15-6-2-3-7-15)22-17-8-4-5-9-18(17)23-20/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,21,22)(H,23,24)
InChIKeyVOJKRQRUDVKJGZ-UHFFFAOYSA-N
XLogP4.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
N-[3-(3,5-dichloroanilino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 3699494
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[3-[(2-ethoxyphenyl)methyl]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 58373519
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
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-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide (CID 7456715) is N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NC2CCCC2)cc1.
What is the InChIKey of N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is VOJKRQRUDVKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-10-12-16(13-11-14)27(25,26)24-20-19(21-15-6-2-3-7-15)22-17-8-4-5-9-18(17)23-20/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide?
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 7456715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).