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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Related Compounds

5-chloro-N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 125447798
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 60531245
2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539
2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95142288
5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55730964
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide
CID 126827647
N-(3-amino-2-methylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62666487

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).