1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide

C16H20N4O3S2 — CID 51135609

IUPAC1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1cccc(C(=O)N2CCSCC2)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C16H20N4O3S2/c1-12-4-3-5-14(16(21)20-6-8-24-9-7-20)15(12)18-25(22,23)13-10-17-19(2)11-13/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyIUNLRHJXKNGWNV-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.72
Rot. Bonds4

About 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide

1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 51135609) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
PubChem CID51135609
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1cccc(C(=O)N2CCSCC2)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C16H20N4O3S2/c1-12-4-3-5-14(16(21)20-6-8-24-9-7-20)15(12)18-25(22,23)13-10-17-19(2)11-13/h3-5,10-11,18H,6-9H2,1-2H3
InChIKeyIUNLRHJXKNGWNV-UHFFFAOYSA-N
XLogP1.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069430
2,3,5,6-tetramethyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069442
methyl 4-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoate
CID 43069472
4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 43069459
[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-thiomorpholin-4-ylmethanone
CID 95177278
2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
dimethyl 2-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 43069411
[4-(2,6-dimethylanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53001611
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 39837850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide (CID 51135609) is 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide is Cc1cccc(C(=O)N2CCSCC2)c1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is IUNLRHJXKNGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-12-4-3-5-14(16(21)20-6-8-24-9-7-20)15(12)18-25(22,23)13-10-17-19(2)11-13/h3-5,10-11,18H,6-9H2,1-2H3.
What are the key properties of 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 380.50 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-6-(thiomorpholine-4-carbonyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 51135609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).