2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide

C14H18ClN5O3S — CID 128967939

IUPAC2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
SMILESCn1cncc1C1CC(NS(=O)(=O)c2cc(Cl)cnc2N)CCO1
InChIInChI=1S/C14H18ClN5O3S/c1-20-8-17-7-11(20)12-5-10(2-3-23-12)19-24(21,22)13-4-9(15)6-18-14(13)16/h4,6-8,10,12,19H,2-3,5H2,1H3,(H2,16,18)
InChIKeyCHBAXPACISEMET-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.25
Rot. Bonds4

About 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide

2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide (PubChem CID 128967939) has the molecular formula C14H18ClN5O3S and a molecular weight of 371.85 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
PubChem CID128967939
Molecular FormulaC14H18ClN5O3S
Molecular Weight371.85 g/mol
Exact Mass371.08
IUPAC Name2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide
SMILESCn1cncc1C1CC(NS(=O)(=O)c2cc(Cl)cnc2N)CCO1
InChIInChI=1S/C14H18ClN5O3S/c1-20-8-17-7-11(20)12-5-10(2-3-23-12)19-24(21,22)13-4-9(15)6-18-14(13)16/h4,6-8,10,12,19H,2-3,5H2,1H3,(H2,16,18)
InChIKeyCHBAXPACISEMET-UHFFFAOYSA-N
XLogP1.25
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-5-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzenesulfonamide
CID 129341065
N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333164
N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-1-propan-2-ylimidazole-4-sulfonamide
CID 129333162
3,5-diethyl-1-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyrazole-4-sulfonamide
CID 167956330
2-chloro-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331112
2-chloro-N-[(2R,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 129331114
3-ethyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129331407
(2R)-2-methyl-N-[(2R,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129328384
3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 129005299
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
1-methyl-N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 129346409

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide (CID 128967939) is 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide is Cn1cncc1C1CC(NS(=O)(=O)c2cc(Cl)cnc2N)CCO1.
What is the InChIKey of 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide?
The InChIKey is CHBAXPACISEMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O3S/c1-20-8-17-7-11(20)12-5-10(2-3-23-12)19-24(21,22)13-4-9(15)6-18-14(13)16/h4,6-8,10,12,19H,2-3,5H2,1H3,(H2,16,18).
What are the key properties of 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide?
2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide has a molecular weight of 371.85 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 128967939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).