N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide

C15H18N4O3S — CID 3770703

IUPACN-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N4O3S/c20-15-14(4-1-2-9-16-15)18-23(21,22)13-7-5-12(6-8-13)19-11-3-10-17-19/h3,5-8,10-11,14,18H,1-2,4,9H2,(H,16,20)
InChIKeyUTLBKZZANPEOQF-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.82
Rot. Bonds4

About N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 3770703) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID3770703
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N4O3S/c20-15-14(4-1-2-9-16-15)18-23(21,22)13-7-5-12(6-8-13)19-11-3-10-17-19/h3,5-8,10-11,14,18H,1-2,4,9H2,(H,16,20)
InChIKeyUTLBKZZANPEOQF-UHFFFAOYSA-N
XLogP0.82
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyrazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20914803
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
1-[(3S)-2-oxoazepan-3-yl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 94058390
2-bromo-N-[(3S)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979852
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
2-bromo-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 51979851
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79195462
3-fluoro-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457165
5-chloro-1-methyl-N-[(3R)-2-oxoazepan-3-yl]imidazole-4-sulfonamide
CID 51891623
4-(furan-3-yl)-3-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 171385824
N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145648

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide (CID 3770703) is N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide is O=C1NCCCCC1NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is UTLBKZZANPEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-15-14(4-1-2-9-16-15)18-23(21,22)13-7-5-12(6-8-13)19-11-3-10-17-19/h3,5-8,10-11,14,18H,1-2,4,9H2,(H,16,20).
What are the key properties of N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 3770703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).