N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide

C16H20N4O5S2 — CID 43055240

IUPACN-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1)n1cccn1
InChIInChI=1S/C16H20N4O5S2/c1-12(20-9-2-8-17-20)16(21)18-13-3-5-15(6-4-13)27(24,25)19-14-7-10-26(22,23)11-14/h2-6,8-9,12,14,19H,7,10-11H2,1H3,(H,18,21)
InChIKeyGEVGDAIEZLKZEY-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.55
Rot. Bonds6

About N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide

N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 43055240) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID43055240
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC NameN-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1)n1cccn1
InChIInChI=1S/C16H20N4O5S2/c1-12(20-9-2-8-17-20)16(21)18-13-3-5-15(6-4-13)27(24,25)19-14-7-10-26(22,23)11-14/h2-6,8-9,12,14,19H,7,10-11H2,1H3,(H,18,21)
InChIKeyGEVGDAIEZLKZEY-UHFFFAOYSA-N
XLogP0.55
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
4-(2,5-dimethylpyrrol-1-yl)-N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]benzamide
CID 40796098
N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]-3-pyrrol-1-ylbenzamide
CID 40795878
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 94037886
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048457
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
N-(1,1-dioxothiolan-3-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 43507358
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
CID 56503653

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide (CID 43055240) is N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1)n1cccn1.
What is the InChIKey of N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is GEVGDAIEZLKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-12(20-9-2-8-17-20)16(21)18-13-3-5-15(6-4-13)27(24,25)19-14-7-10-26(22,23)11-14/h2-6,8-9,12,14,19H,7,10-11H2,1H3,(H,18,21).
What are the key properties of N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide?
N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 412.49 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43055240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).