5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide

C11H14ClN5O2S — CID 97242234

IUPAC5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](CCn1cncn1)NS(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H14ClN5O2S/c1-9(2-3-17-8-14-7-15-17)16-20(18,19)11-4-10(12)5-13-6-11/h4-9,16H,2-3H2,1H3/t9-/m1/s1
InChIKeyCYZCVJOANJJBPA-SECBINFHSA-N
MW315.79 g/mol
LogP1.08
Rot. Bonds6

About 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide

5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide (PubChem CID 97242234) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide
PubChem CID97242234
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](CCn1cncn1)NS(=O)(=O)c1cncc(Cl)c1
InChIInChI=1S/C11H14ClN5O2S/c1-9(2-3-17-8-14-7-15-17)16-20(18,19)11-4-10(12)5-13-6-11/h4-9,16H,2-3H2,1H3/t9-/m1/s1
InChIKeyCYZCVJOANJJBPA-SECBINFHSA-N
XLogP1.08
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

3-methyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]butan-2-amine
CID 115707201
5-chloro-N-[(1S)-2-methyl-1-pyridin-4-ylpropyl]pyridine-3-sulfonamide
CID 97242203
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
(4S)-6-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 97230812
2-chloro-4-nitro-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]benzenesulfonamide
CID 95173818
1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide
CID 95316681
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
N-(2-amino-1-cyclopentylethyl)-5-chloropyridine-3-sulfonamide
CID 120584957
1-(1,2-benzoxazol-3-yl)-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]methanesulfonamide
CID 167806382
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-2-amine
CID 115726756
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
3-chloro-N-(4-chlorobutan-2-yl)benzenesulfonamide
CID 83180571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide (CID 97242234) is 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide is C[C@H](CCn1cncn1)NS(=O)(=O)c1cncc(Cl)c1.
What is the InChIKey of 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide?
The InChIKey is CYZCVJOANJJBPA-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-9(2-3-17-8-14-7-15-17)16-20(18,19)11-4-10(12)5-13-6-11/h4-9,16H,2-3H2,1H3/t9-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide?
5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97242234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).