N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide

C8H16N4O4S2 — CID 63859195

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cn[nH]c1)NS(C)(=O)=O
InChIInChI=1S/C8H16N4O4S2/c1-8(2,12-17(3,13)14)6-11-18(15,16)7-4-9-10-5-7/h4-5,11-12H,6H2,1-3H3,(H,9,10)
InChIKeyVUIPORIPHPPVDA-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.98
Rot. Bonds6

About N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide

N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide (PubChem CID 63859195) has the molecular formula C8H16N4O4S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
PubChem CID63859195
Molecular FormulaC8H16N4O4S2
Molecular Weight296.37 g/mol
Exact Mass296.06
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)(CNS(=O)(=O)c1cn[nH]c1)NS(C)(=O)=O
InChIInChI=1S/C8H16N4O4S2/c1-8(2,12-17(3,13)14)6-11-18(15,16)7-4-9-10-5-7/h4-5,11-12H,6H2,1-3H3,(H,9,10)
InChIKeyVUIPORIPHPPVDA-UHFFFAOYSA-N
XLogP-0.98
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 66171038
N,2,2-trimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 103824132
N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
CID 104858821
N-tert-butyl-1H-pyrazole-4-sulfonamide
CID 47267365
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
6-chloro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-sulfonamide
CID 63864494
N-[2-(methanesulfonamido)-2-methylpropyl]-6-(methylamino)pyridine-3-sulfonamide
CID 63862617
N-(2-bromo-4,4-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 107158132
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide (CID 63859195) is N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide is CC(C)(CNS(=O)(=O)c1cn[nH]c1)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VUIPORIPHPPVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S2/c1-8(2,12-17(3,13)14)6-11-18(15,16)7-4-9-10-5-7/h4-5,11-12H,6H2,1-3H3,(H,9,10).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 63859195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).