6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

C11H14ClN5O2S — CID 106049660

IUPAC6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2cnc(N)c(Cl)c2)cnn1C
InChIInChI=1S/C11H14ClN5O2S/c1-7-8(4-15-17(7)2)5-16-20(18,19)9-3-10(12)11(13)14-6-9/h3-4,6,16H,5H2,1-2H3,(H2,13,14)
InChIKeyKIMHINWJLYJFBE-UHFFFAOYSA-N
MW315.79 g/mol
LogP0.84
Rot. Bonds4

About 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide

6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 106049660) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID106049660
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1c(CNS(=O)(=O)c2cnc(N)c(Cl)c2)cnn1C
InChIInChI=1S/C11H14ClN5O2S/c1-7-8(4-15-17(7)2)5-16-20(18,19)9-3-10(12)11(13)14-6-9/h3-4,6,16H,5H2,1-2H3,(H2,13,14)
InChIKeyKIMHINWJLYJFBE-UHFFFAOYSA-N
XLogP0.84
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044385
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluorobenzenesulfonamide
CID 106033808
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
4-bromo-2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103858773
5-bromo-4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 103858768
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106033911
6-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64601679
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide (CID 106049660) is 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is Cc1c(CNS(=O)(=O)c2cnc(N)c(Cl)c2)cnn1C.
What is the InChIKey of 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is KIMHINWJLYJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-7-8(4-15-17(7)2)5-16-20(18,19)9-3-10(12)11(13)14-6-9/h3-4,6,16H,5H2,1-2H3,(H2,13,14).
What are the key properties of 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide?
6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 315.79 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106049660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).