N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide

C22H27N3O3S — CID 39626127

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1OC(C)C
InChIInChI=1S/C22H27N3O3S/c1-17(2)28-22-11-10-21(12-18(22)3)29(26,27)24(4)14-20-13-23-25(16-20)15-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3
InChIKeyIMDPXMQAMUWLIO-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.85
Rot. Bonds8

About N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide

N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 39626127) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID39626127
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1OC(C)C
InChIInChI=1S/C22H27N3O3S/c1-17(2)28-22-11-10-21(12-18(22)3)29(26,27)24(4)14-20-13-23-25(16-20)15-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3
InChIKeyIMDPXMQAMUWLIO-UHFFFAOYSA-N
XLogP3.85
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-4-bromo-N,3-dimethylbenzenesulfonamide
CID 26545286
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
N-[(1-benzylpyrazol-4-yl)methyl]-N,2-dimethyltetrazole-5-sulfonamide
CID 146149191
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39631584
N,N-dimethyl-2-[methyl-(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 39622713
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 31080299
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 22204132
4-butan-2-yl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22204133
N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
CID 31798787
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide (CID 39626127) is N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)ccc1OC(C)C.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is IMDPXMQAMUWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-17(2)28-22-11-10-21(12-18(22)3)29(26,27)24(4)14-20-13-23-25(16-20)15-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 413.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 39626127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).