5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride

C34H41Br2Cl4N11O7S3 — CID 158824521

IUPAC5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
SMILESCN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(Br)cnc1Cl.Nc1cc(Br)cnc1Cl
InChIInChI=1S/C20H22ClN5O3S.C7H9BrClN3O2S.C5H4BrClN2.C2H6ClNO2S/c1-25(2)30(27,28)24-18-12-15(13-23-20(18)21)14-3-4-17-16(11-14)19(5-6-22-17)26-7-9-29-10-8-26;1-12(2)15(13,14)11-6-3-5(8)4-10-7(6)9;6-3-1-4(8)5(7)9-2-3;1-4(2)7(3,5)6/h3-6,11-13,24H,7-10H2,1-2H3;3-4,11H,1-2H3;1-2H,8H2;1-2H3
InChIKeyIWHFYEJENXJWIY-UHFFFAOYSA-N
MW1113.59 g/mol
LogP6.83
Rot. Bonds9

About 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride

5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride (PubChem CID 158824521) has the molecular formula C34H41Br2Cl4N11O7S3 and a molecular weight of 1113.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
PubChem CID158824521
Molecular FormulaC34H41Br2Cl4N11O7S3
Molecular Weight1113.59 g/mol
Exact Mass1108.95
IUPAC Name5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride
SMILESCN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(Br)cnc1Cl.Nc1cc(Br)cnc1Cl
InChIInChI=1S/C20H22ClN5O3S.C7H9BrClN3O2S.C5H4BrClN2.C2H6ClNO2S/c1-25(2)30(27,28)24-18-12-15(13-23-20(18)21)14-3-4-17-16(11-14)19(5-6-22-17)26-7-9-29-10-8-26;1-12(2)15(13,14)11-6-3-5(8)4-10-7(6)9;6-3-1-4(8)5(7)9-2-3;1-4(2)7(3,5)6/h3-6,11-13,24H,7-10H2,1-2H3;3-4,11H,1-2H3;1-2H,8H2;1-2H3
InChIKeyIWHFYEJENXJWIY-UHFFFAOYSA-N
XLogP6.83
TPSA226.25 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.59
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride with MolForge

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Related Compounds

N-[2-chloro-5-[4-(2,2-dimethylmorpholin-4-yl)quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 44608755
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 44609076
2-Chloro-5-(4-morpholinoquinolin-6-yl)pyridin-3-amine
CID 58229452
N-[2-chloro-5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 58229455
N-[2-chloro-5-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 58229458
4-[6-[6-Chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]quinolin-4-yl]morpholine
CID 58229462
6-[6-Chloro-5-[[2-methoxyethyl(methyl)sulfamoyl]amino]-3-pyridinyl]-4-[2-methoxyethyl(methyl)amino]quinoline
CID 58229472
4-[6-[6-Chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine
CID 58229491
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]morpholine-4-sulfonamide
CID 58229500
N-[2-chloro-5-(4-morpholin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 58229517
N-[2-chloro-5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 58229520
8-chloro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)-2-pyridin-2-ylquinolin-4-amine
CID 67508376

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride?
The IUPAC name of 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride (CID 158824521) is 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride.
What is the SMILES notation for 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride?
The canonical SMILES for 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride is CN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl.CN(C)S(=O)(=O)Nc1cc(Br)cnc1Cl.Nc1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride?
The InChIKey is IWHFYEJENXJWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S.C7H9BrClN3O2S.C5H4BrClN2.C2H6ClNO2S/c1-25(2)30(27,28)24-18-12-15(13-23-20(18)21)14-3-4-17-16(11-14)19(5-6-22-17)26-7-9-29-10-8-26;1-12(2)15(13,14)11-6-3-5(8)4-10-7(6)9;6-3-1-4(8)5(7)9-2-3;1-4(2)7(3,5)6/h3-6,11-13,24H,7-10H2,1-2H3;3-4,11H,1-2H3;1-2H,8H2;1-2H3.
What are the key properties of 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride?
5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride has a molecular weight of 1113.59 g/mol, XLogP of 6.83, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(dimethylsulfamoylamino)pyridine;5-bromo-2-chloropyridin-3-amine;4-[6-[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]quinolin-4-yl]morpholine;N,N-dimethylsulfamoyl chloride is sourced from PubChem (CID 158824521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).