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

C16H23N3O3S — CID 39623415

IUPACN,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2)ccc1OC(C)C
InChIInChI=1S/C16H23N3O3S/c1-12(2)22-16-7-6-15(8-13(16)3)23(20,21)19(5)11-14-9-17-18(4)10-14/h6-10,12H,11H2,1-5H3
InChIKeyNJYQHDRIEMDXRX-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.34
Rot. Bonds6

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

N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 39623415) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID39623415
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2)ccc1OC(C)C
InChIInChI=1S/C16H23N3O3S/c1-12(2)22-16-7-6-15(8-13(16)3)23(20,21)19(5)11-14-9-17-18(4)10-14/h6-10,12H,11H2,1-5H3
InChIKeyNJYQHDRIEMDXRX-UHFFFAOYSA-N
XLogP2.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39626127
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 39794990
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
4-bromo-3-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103697227
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 39794988
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
4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39623413
4-cyclohexyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794981
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119967344
N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 66185704

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 39623415) is N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2cnn(C)c2)ccc1OC(C)C.
What is the InChIKey of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is NJYQHDRIEMDXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(2)22-16-7-6-15(8-13(16)3)23(20,21)19(5)11-14-9-17-18(4)10-14/h6-10,12H,11H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 39623415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).