N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H24N4O3S — CID 77083005

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(CC(C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C18H24N4O3S/c1-13-10-16(20-19-13)11-14(2)21-26(24,25)17-7-5-6-15(12-17)18(23)22-8-3-4-9-22/h5-7,10,12,14,21H,3-4,8-9,11H2,1-2H3,(H,19,20)
InChIKeyNOZXGBWOPDTERC-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.86
Rot. Bonds6

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 77083005) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID77083005
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cc(CC(C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1
InChIInChI=1S/C18H24N4O3S/c1-13-10-16(20-19-13)11-14(2)21-26(24,25)17-7-5-6-15(12-17)18(23)22-8-3-4-9-22/h5-7,10,12,14,21H,3-4,8-9,11H2,1-2H3,(H,19,20)
InChIKeyNOZXGBWOPDTERC-UHFFFAOYSA-N
XLogP1.86
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidine-1-carbonyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47956493
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
1-(benzenesulfonyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidine-2-carboxamide
CID 154840231
N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 109062908
3-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46467008
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 46523841
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 77083005) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1cc(CC(C)NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is NOZXGBWOPDTERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-10-16(20-19-13)11-14(2)21-26(24,25)17-7-5-6-15(12-17)18(23)22-8-3-4-9-22/h5-7,10,12,14,21H,3-4,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 77083005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).