N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide

C19H20ClN3O2S — CID 2392249

IUPACN-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-3-4-13-23(26(24,25)15-11-9-14(2)10-12-15)19-18(20)21-16-7-5-6-8-17(16)22-19/h5-12H,3-4,13H2,1-2H3
InChIKeyFCSYXBYCCWBYSU-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.59
Rot. Bonds6

About N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide

N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 2392249) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
PubChem CID2392249
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
SMILESCCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20ClN3O2S/c1-3-4-13-23(26(24,25)15-11-9-14(2)10-12-15)19-18(20)21-16-7-5-6-8-17(16)22-19/h5-12H,3-4,13H2,1-2H3
InChIKeyFCSYXBYCCWBYSU-UHFFFAOYSA-N
XLogP4.59
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide
CID 22908451
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3346983
N-butyl-N-cyano-4-methylbenzenesulfonamide
CID 135043115
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3410388
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007
N-[6-[6-[8-[3-bromopropyl-(4-methylphenyl)sulfonylamino]phenanthridin-6-yl]hexyl]phenanthridin-8-yl]-4-methyl-N-propylbenzenesulfonamide
CID 101493991
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 7462909

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide (CID 2392249) is N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide is CCCCN(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is FCSYXBYCCWBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-3-4-13-23(26(24,25)15-11-9-14(2)10-12-15)19-18(20)21-16-7-5-6-8-17(16)22-19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide?
N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 389.91 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2392249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).