N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide

C19H29N3O2S — CID 999537

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C
InChIInChI=1S/C19H29N3O2S/c1-9-22-17(7)18(10-20-22)11-21(8)25(23,24)19-15(5)13(3)12(2)14(4)16(19)6/h10H,9,11H2,1-8H3
InChIKeyULWUSBPBXDTUQI-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.57
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide (PubChem CID 999537) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
PubChem CID999537
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide
SMILESCCn1ncc(CN(C)S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C
InChIInChI=1S/C19H29N3O2S/c1-9-22-17(7)18(10-20-22)11-21(8)25(23,24)19-15(5)13(3)12(2)14(4)16(19)6/h10H,9,11H2,1-8H3
InChIKeyULWUSBPBXDTUQI-UHFFFAOYSA-N
XLogP3.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 29090602
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylsulfamoyl]-N-methylpropan-2-amine
CID 131900433
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzenesulfonamide
CID 22204120
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 22204096
1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
CID 22203950
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22771483
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 44822188
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 17020502
1-ethyl-N,3,5-trimethyl-N-(1H-pyrazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 132969419
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methyl-3-phenylurea
CID 3698434

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide (CID 999537) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide is CCn1ncc(CN(C)S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The InChIKey is ULWUSBPBXDTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-9-22-17(7)18(10-20-22)11-21(8)25(23,24)19-15(5)13(3)12(2)14(4)16(19)6/h10H,9,11H2,1-8H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide has a molecular weight of 363.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,2,3,4,5,6-hexamethylbenzenesulfonamide is sourced from PubChem (CID 999537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).