5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine

C23H30BrClN6O2S — CID 142228889

IUPAC5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(NCC2CCCCC2)nc2ccccc12.CNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C17H24N4.C6H6BrClN2O2S/c1-21(2)16-14-10-6-7-11-15(14)19-17(20-16)18-12-13-8-4-3-5-9-13;1-9-13(11,12)4-2-5(7)6(8)10-3-4/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19,20);2-3,9H,1H3
InChIKeyZXOWOFNILRKCEC-UHFFFAOYSA-N
MW569.96 g/mol
LogP5.09
Rot. Bonds6

About 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine

5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine (PubChem CID 142228889) has the molecular formula C23H30BrClN6O2S and a molecular weight of 569.96 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
PubChem CID142228889
Molecular FormulaC23H30BrClN6O2S
Molecular Weight569.96 g/mol
Exact Mass568.10
IUPAC Name5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
SMILESCN(C)c1nc(NCC2CCCCC2)nc2ccccc12.CNS(=O)(=O)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C17H24N4.C6H6BrClN2O2S/c1-21(2)16-14-10-6-7-11-15(14)19-17(20-16)18-12-13-8-4-3-5-9-13;1-9-13(11,12)4-2-5(7)6(8)10-3-4/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19,20);2-3,9H,1H3
InChIKeyZXOWOFNILRKCEC-UHFFFAOYSA-N
XLogP5.09
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.96
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228403
N-butylsulfanylmethanamine;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228536
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
CID 142228752
[4-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methylsulfamoyl]phenyl]-methoxy-oxoazanium
CID 142229870
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide
CID 142229535
4-N,4-N-dimethyl-2-N-[[4-[(naphthalen-1-ylsulfanylamino)methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230861
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 59818434
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122
3-chloro-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluorobenzamide
CID 142228789
N-[2-chloro-4-[(E)-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methylamino]-ethylidene-λ4-sulfanyl]phenyl]acetamide
CID 142229357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine (CID 142228889) is 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine is CN(C)c1nc(NCC2CCCCC2)nc2ccccc12.CNS(=O)(=O)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine?
The InChIKey is ZXOWOFNILRKCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.C6H6BrClN2O2S/c1-21(2)16-14-10-6-7-11-15(14)19-17(20-16)18-12-13-8-4-3-5-9-13;1-9-13(11,12)4-2-5(7)6(8)10-3-4/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19,20);2-3,9H,1H3.
What are the key properties of 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine?
5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine has a molecular weight of 569.96 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 142228889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).