4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile

C10H11BrN4O3S — CID 79676095

IUPAC4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2cc(Br)cnc2N)CCO1
InChIInChI=1S/C10H11BrN4O3S/c11-7-3-9(10(13)14-5-7)19(16,17)15-1-2-18-8(4-12)6-15/h3,5,8H,1-2,6H2,(H2,13,14)
InChIKeyDHZIXQZWGMHAQQ-UHFFFAOYSA-N
MW347.19 g/mol
LogP0.34
Rot. Bonds2

About 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile

4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile (PubChem CID 79676095) has the molecular formula C10H11BrN4O3S and a molecular weight of 347.19 g/mol. Its IUPAC name is 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile
PubChem CID79676095
Molecular FormulaC10H11BrN4O3S
Molecular Weight347.19 g/mol
Exact Mass345.97
IUPAC Name4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile
SMILESN#CC1CN(S(=O)(=O)c2cc(Br)cnc2N)CCO1
InChIInChI=1S/C10H11BrN4O3S/c11-7-3-9(10(13)14-5-7)19(16,17)15-1-2-18-8(4-12)6-15/h3,5,8H,1-2,6H2,(H2,13,14)
InChIKeyDHZIXQZWGMHAQQ-UHFFFAOYSA-N
XLogP0.34
TPSA109.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[(2-amino-5-bromopyridin-3-yl)sulfonyl]piperazine-1-carboxylate
CID 3236503
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
5-(Morpholine-4-sulfonyl)pyridin-2-amine
CID 5268062
2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide
CID 6623864
2-amino-5-bromo-N-methylpyridine-3-sulfonamide
CID 52335154
5-Bromo-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 22515929
3-(7-bromo-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)-1-morpholin-4-ylpropan-1-one
CID 3408842
5-Bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 6623917
N-(5-bromopyridin-2-yl)pyridine-3-sulfonamide
CID 53546341
2-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 66820206
5-bromo-6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 90101332

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile (CID 79676095) is 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile is N#CC1CN(S(=O)(=O)c2cc(Br)cnc2N)CCO1.
What is the InChIKey of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile?
The InChIKey is DHZIXQZWGMHAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O3S/c11-7-3-9(10(13)14-5-7)19(16,17)15-1-2-18-8(4-12)6-15/h3,5,8H,1-2,6H2,(H2,13,14).
What are the key properties of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile?
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile has a molecular weight of 347.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79676095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).