N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide

C18H24N4O3S — CID 171909999

IUPACN-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide
SMILESCN(CCCN1CCOCC1)S(=O)(=O)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C18H24N4O3S/c1-21(7-2-8-22-9-11-25-12-10-22)26(23,24)18-5-3-16(4-6-18)17-13-19-15-20-14-17/h3-6,13-15H,2,7-12H2,1H3
InChIKeyGZQPYAMHDNBHIP-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.49
Rot. Bonds7

About N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide

N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 171909999) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide
PubChem CID171909999
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide
SMILESCN(CCCN1CCOCC1)S(=O)(=O)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C18H24N4O3S/c1-21(7-2-8-22-9-11-25-12-10-22)26(23,24)18-5-3-16(4-6-18)17-13-19-15-20-14-17/h3-6,13-15H,2,7-12H2,1H3
InChIKeyGZQPYAMHDNBHIP-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[methyl(2-morpholin-4-ylethyl)sulfamoyl]pyridine-3-carboxylate
CID 118054973
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methylphenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3444758
N,N-dimethyl-4-(2-morpholin-4-ylethylamino)benzenesulfonamide
CID 43453904
4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 59244309
N-methyl-N-[(3-methylcyclopropen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 171540310
5-[4-[[butyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-N-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 157148390
5-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 46345791
4-[butyl(methyl)sulfamoyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44947541
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
2-[(4-chlorophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3258834
5-bromo-N-methyl-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 68556749
6-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209121

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide (CID 171909999) is N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide is CN(CCCN1CCOCC1)S(=O)(=O)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is GZQPYAMHDNBHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-21(7-2-8-22-9-11-25-12-10-22)26(23,24)18-5-3-16(4-6-18)17-13-19-15-20-14-17/h3-6,13-15H,2,7-12H2,1H3.
What are the key properties of N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide?
N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-morpholin-4-ylpropyl)-4-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 171909999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).