5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide

C20H18ClN3O3S2 — CID 166202253

IUPAC5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c2ccccc21
InChIInChI=1S/C20H18ClN3O3S2/c1-23-12-13-24(17-5-3-2-4-16(17)23)20(25)14-6-8-15(9-7-14)22-29(26,27)19-11-10-18(21)28-19/h2-11,22H,12-13H2,1H3
InChIKeyAXLMDIIAJRQFKN-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.30
Rot. Bonds4

About 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 166202253) has the molecular formula C20H18ClN3O3S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID166202253
Molecular FormulaC20H18ClN3O3S2
Molecular Weight447.97 g/mol
Exact Mass447.05
IUPAC Name5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c2ccccc21
InChIInChI=1S/C20H18ClN3O3S2/c1-23-12-13-24(17-5-3-2-4-16(17)23)20(25)14-6-8-15(9-7-14)22-29(26,27)19-11-10-18(21)28-19/h2-11,22H,12-13H2,1H3
InChIKeyAXLMDIIAJRQFKN-UHFFFAOYSA-N
XLogP4.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
N-[4-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 7040890
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772945
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
CID 53013850
5-chloro-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986155
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
2,4,6-trimethyl-N-[2-methyl-5-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]benzenesulfonamide
CID 155964407
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63779175
5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide (CID 166202253) is 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide is CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)c2ccccc21.
What is the InChIKey of 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is AXLMDIIAJRQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S2/c1-23-12-13-24(17-5-3-2-4-16(17)23)20(25)14-6-8-15(9-7-14)22-29(26,27)19-11-10-18(21)28-19/h2-11,22H,12-13H2,1H3.
What are the key properties of 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 447.97 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166202253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).