N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide

C17H23N3O3S — CID 118120979

IUPACN-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O3S/c1-11-17(12(2)19-18-11)13-8-9-15(23-3)16(10-13)24(21,22)20-14-6-4-5-7-14/h8-10,14,20H,4-7H2,1-3H3,(H,18,19)
InChIKeySTLGPSMUKGKILR-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.92
Rot. Bonds5

About N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide

N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 118120979) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
PubChem CID118120979
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H23N3O3S/c1-11-17(12(2)19-18-11)13-8-9-15(23-3)16(10-13)24(21,22)20-14-6-4-5-7-14/h8-10,14,20H,4-7H2,1-3H3,(H,18,19)
InChIKeySTLGPSMUKGKILR-UHFFFAOYSA-N
XLogP2.92
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850120
N-[2-(3,4-diethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237955
N-[2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 11179627
N-[2-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56670054
N-[2-[3-(3-methoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56676896
N-[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]-4-pentylbenzenesulfonamide
CID 56663202
1-((2-methoxy-5-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 839455
4-tert-butyl-2-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl ethyl ether
CID 850121
N-((1-(4-methoxyphenyl)cyclopentyl)methyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 49714156
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3636246
N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 5047361
3-(3-methoxyphenyl)-1H-pyrazole-5-sulfonamide
CID 145913642

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide (CID 118120979) is N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide is COc1ccc(-c2c(C)n[nH]c2C)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is STLGPSMUKGKILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-17(12(2)19-18-11)13-8-9-15(23-3)16(10-13)24(21,22)20-14-6-4-5-7-14/h8-10,14,20H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide?
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 118120979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).