3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

C16H21N5O3S — CID 171909373

IUPAC3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCNC2=O)ccc1-c1ccnn1C
InChIInChI=1S/C16H21N5O3S/c1-12-11-13(3-4-14(12)15-5-6-18-20(15)2)25(23,24)19-8-10-21-9-7-17-16(21)22/h3-6,11,19H,7-10H2,1-2H3,(H,17,22)
InChIKeyKVPMYEMKXOCANI-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.70
Rot. Bonds6

About 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 171909373) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID171909373
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCNC2=O)ccc1-c1ccnn1C
InChIInChI=1S/C16H21N5O3S/c1-12-11-13(3-4-14(12)15-5-6-18-20(15)2)25(23,24)19-8-10-21-9-7-17-16(21)22/h3-6,11,19H,7-10H2,1-2H3,(H,17,22)
InChIKeyKVPMYEMKXOCANI-UHFFFAOYSA-N
XLogP0.70
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 2810723
2-nitro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
CID 715060
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118780196
5-bromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 4996312
4,5-dibromo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 3800671
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719303
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (CID 171909373) is 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCNC2=O)ccc1-c1ccnn1C.
What is the InChIKey of 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KVPMYEMKXOCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-12-11-13(3-4-14(12)15-5-6-18-20(15)2)25(23,24)19-8-10-21-9-7-17-16(21)22/h3-6,11,19H,7-10H2,1-2H3,(H,17,22).
What are the key properties of 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpyrazol-3-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 171909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).