N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide

C18H21N3O2S — CID 842058

IUPACN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O2S/c1-13-18(14(2)21(4)19-13)12-20(3)24(22,23)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12H2,1-4H3
InChIKeyQQFAOBCJMZDGFZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide

N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 842058) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
PubChem CID842058
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O2S/c1-13-18(14(2)21(4)19-13)12-20(3)24(22,23)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12H2,1-4H3
InChIKeyQQFAOBCJMZDGFZ-UHFFFAOYSA-N
XLogP3.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 29089514
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
3,5-Dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole
CID 804693
[3-(3,5-Dimethylpyrazolyl)-2-hydroxypropyl](2-naphthylsulfonyl)phenylamine
CID 3145437
N-[2-(3,5-Dimethyl-pyrazol-1-yl)-propyl]-3,4-dimethyl-benzenesulfonamide
CID 6499786
3,5-Dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole
CID 702520
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-naphthalenesulfonamide
CID 1231757
N-[(4-Chloro-1-methyl-1H-pyrazol-5-YL)methyl]-N-methyl-2-naphthalenesulfonamide
CID 29089515
4-ethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 895190
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-2-sulfonamide
CID 118512805

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide (CID 842058) is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is QQFAOBCJMZDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13-18(14(2)21(4)19-13)12-20(3)24(22,23)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12H2,1-4H3.
What are the key properties of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide?
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).