N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H21N3O3S — CID 110731092

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C15H21N3O3S/c1-9-7-15(10(2)6-14(9)21-5)22(19,20)16-8-13-11(3)17-18-12(13)4/h6-7,16H,8H2,1-5H3,(H,17,18)
InChIKeyGUJWGPOHLFSPCS-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.13
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 110731092) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID110731092
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C15H21N3O3S/c1-9-7-15(10(2)6-14(9)21-5)22(19,20)16-8-13-11(3)17-18-12(13)4/h6-7,16H,8H2,1-5H3,(H,17,18)
InChIKeyGUJWGPOHLFSPCS-UHFFFAOYSA-N
XLogP2.13
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 110782776
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methoxybenzenesulfonamide
CID 43743967
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
4-methoxy-2,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730435
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113068096
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110641956
4-methoxy-2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718489
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 110731092) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCc2c(C)n[nH]c2C)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is GUJWGPOHLFSPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-7-15(10(2)6-14(9)21-5)22(19,20)16-8-13-11(3)17-18-12(13)4/h6-7,16H,8H2,1-5H3,(H,17,18).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110731092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).