N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide

C14H19N3O4S2 — CID 47812984

IUPACN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O4S2/c1-4-17(11-12-9-15-16(2)10-12)23(20,21)14-7-5-13(6-8-14)22(3,18)19/h5-10H,4,11H2,1-3H3
InChIKeyGSFAXVCANNTGBP-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.03
Rot. Bonds6

About N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide

N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 47812984) has the molecular formula C14H19N3O4S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID47812984
Molecular FormulaC14H19N3O4S2
Molecular Weight357.46 g/mol
Exact Mass357.08
IUPAC NameN-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
SMILESCCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H19N3O4S2/c1-4-17(11-12-9-15-16(2)10-12)23(20,21)14-7-5-13(6-8-14)22(3,18)19/h5-10H,4,11H2,1-3H3
InChIKeyGSFAXVCANNTGBP-UHFFFAOYSA-N
XLogP1.03
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
6-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 47400652
4-cyclohexyl-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52753328
N-ethyl-2,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 52783463
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
N-(4-ethoxyphenyl)-4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19576918
4-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 44822169
N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 47813010
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
N-[1-[5-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47083099
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981
N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 80676344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide (CID 47812984) is N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide is CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is GSFAXVCANNTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S2/c1-4-17(11-12-9-15-16(2)10-12)23(20,21)14-7-5-13(6-8-14)22(3,18)19/h5-10H,4,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 357.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 47812984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).