3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide

C17H21FN4O3S — CID 110248491

IUPAC3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide
SMILESCN(C1CCCN(C(=O)c2ccn[nH]2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H21FN4O3S/c1-21(26(24,25)15-6-2-4-13(18)12-15)14-5-3-10-22(11-8-14)17(23)16-7-9-19-20-16/h2,4,6-7,9,12,14H,3,5,8,10-11H2,1H3,(H,19,20)
InChIKeyDCBOWRQNOFZNOK-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.86
Rot. Bonds4

About 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide

3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide (PubChem CID 110248491) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide
PubChem CID110248491
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide
SMILESCN(C1CCCN(C(=O)c2ccn[nH]2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H21FN4O3S/c1-21(26(24,25)15-6-2-4-13(18)12-15)14-5-3-10-22(11-8-14)17(23)16-7-9-19-20-16/h2,4,6-7,9,12,14H,3,5,8,10-11H2,1H3,(H,19,20)
InChIKeyDCBOWRQNOFZNOK-UHFFFAOYSA-N
XLogP1.86
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-methyl-N-[1-(2-phenylbenzoyl)azepan-4-yl]benzenesulfonamide
CID 110148504
N-[(4S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)azepan-4-yl]-3-fluoro-N-methylbenzenesulfonamide
CID 92634930
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
[3-[3-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110255118
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
3-fluoro-N-methyl-N-[(4R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-4-yl]benzenesulfonamide
CID 92634917
3-fluoro-N-[(4R)-1-(3-fluorobenzoyl)azepan-4-yl]-N-methylbenzamide
CID 97060954
3-(azetidine-1-carbonyl)-N-methyl-N-(thian-4-yl)benzenesulfonamide
CID 77083695
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95810149
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
N-cyclohexyl-3-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-N-methylbenzenesulfonamide
CID 32769750
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide (CID 110248491) is 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide is CN(C1CCCN(C(=O)c2ccn[nH]2)CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide?
The InChIKey is DCBOWRQNOFZNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-21(26(24,25)15-6-2-4-13(18)12-15)14-5-3-10-22(11-8-14)17(23)16-7-9-19-20-16/h2,4,6-7,9,12,14H,3,5,8,10-11H2,1H3,(H,19,20).
What are the key properties of 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide?
3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide is sourced from PubChem (CID 110248491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).