2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide

C16H17N5O3S — CID 122353594

IUPAC2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C16H17N5O3S/c17-11-13-3-1-2-4-15(13)25(22,23)19-12-14-5-6-18-16(20-14)21-7-9-24-10-8-21/h1-6,19H,7-10,12H2
InChIKeyDXZWRKKJYDAGTM-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.66
Rot. Bonds5

About 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide

2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (PubChem CID 122353594) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
PubChem CID122353594
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C16H17N5O3S/c17-11-13-3-1-2-4-15(13)25(22,23)19-12-14-5-6-18-16(20-14)21-7-9-24-10-8-21/h1-6,19H,7-10,12H2
InChIKeyDXZWRKKJYDAGTM-UHFFFAOYSA-N
XLogP0.66
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 121138161
2,5-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 91967427
4-[4-[(dimethylsulfamoylamino)methyl]pyrimidin-2-yl]morpholine
CID 122353348
5-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]thiophene-2-sulfonamide
CID 122353531
2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734145
4-cyano-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122353301
1-ethyl-3,5-dimethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 122353575
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272
3-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353565
1-phenyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 91967200
2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722704
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide (CID 122353594) is 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCc1ccnc(N2CCOCC2)n1.
What is the InChIKey of 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is DXZWRKKJYDAGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c17-11-13-3-1-2-4-15(13)25(22,23)19-12-14-5-6-18-16(20-14)21-7-9-24-10-8-21/h1-6,19H,7-10,12H2.
What are the key properties of 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide?
2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122353594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).