5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H23ClN4O2S — CID 94192668

IUPAC5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)[C@@H](C)CNS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C12H23ClN4O2S/c1-6-17(7-2)9(3)8-14-20(18,19)11-10(4)15-16(5)12(11)13/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyBREWGDMRDAXVKQ-VIFPVBQESA-N
MW322.86 g/mol
LogP1.39
Rot. Bonds7

About 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 94192668) has the molecular formula C12H23ClN4O2S and a molecular weight of 322.86 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID94192668
Molecular FormulaC12H23ClN4O2S
Molecular Weight322.86 g/mol
Exact Mass322.12
IUPAC Name5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)[C@@H](C)CNS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C12H23ClN4O2S/c1-6-17(7-2)9(3)8-14-20(18,19)11-10(4)15-16(5)12(11)13/h9,14H,6-8H2,1-5H3/t9-/m0/s1
InChIKeyBREWGDMRDAXVKQ-VIFPVBQESA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 94192668) is 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide is CCN(CC)[C@@H](C)CNS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is BREWGDMRDAXVKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23ClN4O2S/c1-6-17(7-2)9(3)8-14-20(18,19)11-10(4)15-16(5)12(11)13/h9,14H,6-8H2,1-5H3/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 322.86 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(diethylamino)propyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 94192668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).