5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide

C17H18ClN3O2S2 — CID 11153660

IUPAC5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H18ClN3O2S2/c1-12(2)17(20-25(22,23)16-9-8-15(18)24-16)14-10-11-19-21(14)13-6-4-3-5-7-13/h3-12,17,20H,1-2H3
InChIKeyVUJRTRFALCAJAK-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.26
Rot. Bonds6

About 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide

5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide (PubChem CID 11153660) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide
PubChem CID11153660
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC Name5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide
SMILESCC(C)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H18ClN3O2S2/c1-12(2)17(20-25(22,23)16-9-8-15(18)24-16)14-10-11-19-21(14)13-6-4-3-5-7-13/h3-12,17,20H,1-2H3
InChIKeyVUJRTRFALCAJAK-UHFFFAOYSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-butylpyrazol-3-yl)-2-ethylbutyl]-5-chlorothiophene-2-sulfonamide
CID 11200513
5-chloro-N-[2-methyl-1-[2-(4-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
CID 11200695
5-chloro-N-[(1S)-2-methyl-1-[2-(4-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
CID 45481681
5-chloro-N-[(1S)-1-[2-(4-hydroxyphenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
CID 45481682
5-chloro-N-[2-ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butyl]thiophene-2-sulfonamide
CID 11156102
5-chloro-N-[(1R)-1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
CID 11200800
5-Chloro-N-(2-ethyl-1-{1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl}butyl)thiophene-2-sulfonamide
CID 11214237
5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]-N-methylthiophene-2-sulfonamide
CID 11235968
4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
CID 11247085
5-chloro-N-[1-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylpropyl]thiophene-2-sulfonamide
CID 11281404
5-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]thiophene-2-sulfonamide
CID 11327711
5-chloro-N-[2-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]propyl]thiophene-2-sulfonamide
CID 11384302

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide (CID 11153660) is 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide is CC(C)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1.
What is the InChIKey of 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide?
The InChIKey is VUJRTRFALCAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S2/c1-12(2)17(20-25(22,23)16-9-8-15(18)24-16)14-10-11-19-21(14)13-6-4-3-5-7-13/h3-12,17,20H,1-2H3.
What are the key properties of 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide?
5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide has a molecular weight of 395.94 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-methyl-1-(2-phenylpyrazol-3-yl)propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11153660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).