2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C13H17N3O3S — CID 99843664

IUPAC2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)c1cnn(C)c1
InChIInChI=1S/C13H17N3O3S/c1-10-5-6-12(19-4)13(7-10)20(17,18)16(3)11-8-14-15(2)9-11/h5-9H,1-4H3
InChIKeyXUZCHLFFIZLEGW-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.56
Rot. Bonds4

About 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 99843664) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID99843664
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)c1cnn(C)c1
InChIInChI=1S/C13H17N3O3S/c1-10-5-6-12(19-4)13(7-10)20(17,18)16(3)11-8-14-15(2)9-11/h5-9H,1-4H3
InChIKeyXUZCHLFFIZLEGW-UHFFFAOYSA-N
XLogP1.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 110752872
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
2-methoxy-5-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166187507
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-[(1-hydroxycyclopentyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 114951772
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 99843664) is 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(C)c1cnn(C)c1.
What is the InChIKey of 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is XUZCHLFFIZLEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-5-6-12(19-4)13(7-10)20(17,18)16(3)11-8-14-15(2)9-11/h5-9H,1-4H3.
What are the key properties of 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,5-dimethyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 99843664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).