N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide

C18H28N4O4S2 — CID 97025466

IUPACN-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(-n2cc(S(=O)(=O)N[C@@H](C)CC)cn2)ccc1C
InChIInChI=1S/C18H28N4O4S2/c1-6-14(4)20-27(23,24)17-11-19-22(12-17)16-9-8-13(3)18(10-16)28(25,26)21-15(5)7-2/h8-12,14-15,20-21H,6-7H2,1-5H3/t14-,15+/m0/s1
InChIKeyHUPVCVIOSJLHIU-LSDHHAIUSA-N
MW428.58 g/mol
LogP2.33
Rot. Bonds9

About N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide

N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide (PubChem CID 97025466) has the molecular formula C18H28N4O4S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide
PubChem CID97025466
Molecular FormulaC18H28N4O4S2
Molecular Weight428.58 g/mol
Exact Mass428.16
IUPAC NameN-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(-n2cc(S(=O)(=O)N[C@@H](C)CC)cn2)ccc1C
InChIInChI=1S/C18H28N4O4S2/c1-6-14(4)20-27(23,24)17-11-19-22(12-17)16-9-8-13(3)18(10-16)28(25,26)21-15(5)7-2/h8-12,14-15,20-21H,6-7H2,1-5H3/t14-,15+/m0/s1
InChIKeyHUPVCVIOSJLHIU-LSDHHAIUSA-N
XLogP2.33
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-4-pyrrolidin-1-ylsulfonylpyrazole
CID 71875967
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
1-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazole-4-sulfonamide
CID 95316681
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
N-[(2R)-1-hydroxypropan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 39086779
1-(4-methylphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 95354370
5-[[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-[(2S)-butan-2-yl]-2-methylbenzenesulfonamide
CID 98226740
5-[[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-[(2S)-butan-2-yl]-2-methylbenzenesulfonamide
CID 129424606
N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
CID 45100351
N-[4-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]-3-ethyl-1,2-oxazol-5-yl]acetamide
CID 95092633
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide (CID 97025466) is N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide is CC[C@@H](C)NS(=O)(=O)c1cc(-n2cc(S(=O)(=O)N[C@@H](C)CC)cn2)ccc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide?
The InChIKey is HUPVCVIOSJLHIU-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H28N4O4S2/c1-6-14(4)20-27(23,24)17-11-19-22(12-17)16-9-8-13(3)18(10-16)28(25,26)21-15(5)7-2/h8-12,14-15,20-21H,6-7H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide?
N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide has a molecular weight of 428.58 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 97025466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).