3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide

C16H18N4O4S — CID 77097656

IUPAC3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H18N4O4S/c21-16(18-11-14-4-5-17-12-19-14)13-2-1-3-15(10-13)25(22,23)20-6-8-24-9-7-20/h1-5,10,12H,6-9,11H2,(H,18,21)
InChIKeyZMMVJYVTTKWENQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.43
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide

3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide (PubChem CID 77097656) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
PubChem CID77097656
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H18N4O4S/c21-16(18-11-14-4-5-17-12-19-14)13-2-1-3-15(10-13)25(22,23)20-6-8-24-9-7-20/h1-5,10,12H,6-9,11H2,(H,18,21)
InChIKeyZMMVJYVTTKWENQ-UHFFFAOYSA-N
XLogP0.43
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
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CID 55531398
N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
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4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
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3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 109064311
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide (CID 77097656) is 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide is O=C(NCc1ccncn1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide?
The InChIKey is ZMMVJYVTTKWENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c21-16(18-11-14-4-5-17-12-19-14)13-2-1-3-15(10-13)25(22,23)20-6-8-24-9-7-20/h1-5,10,12H,6-9,11H2,(H,18,21).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide has a molecular weight of 362.41 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide is sourced from PubChem (CID 77097656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).