N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide

C14H19N3O3S — CID 106043704

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1c(CO)cccc1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H19N3O3S/c1-10-12(9-18)5-4-6-14(10)21(19,20)16-8-13-7-15-17(3)11(13)2/h4-7,16,18H,8-9H2,1-3H3
InChIKeyPUBHRNNQIAMQOC-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.01
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide (PubChem CID 106043704) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
PubChem CID106043704
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1c(CO)cccc1S(=O)(=O)NCc1cnn(C)c1C
InChIInChI=1S/C14H19N3O3S/c1-10-12(9-18)5-4-6-14(10)21(19,20)16-8-13-7-15-17(3)11(13)2/h4-7,16,18H,8-9H2,1-3H3
InChIKeyPUBHRNNQIAMQOC-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-sulfonamide
CID 106049652
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106032772
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106033916
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797
3-(aminomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106044391
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dimethylbenzenesulfonamide
CID 106033795
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide
CID 106043862

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide (CID 106043704) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide is Cc1c(CO)cccc1S(=O)(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is PUBHRNNQIAMQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-12(9-18)5-4-6-14(10)21(19,20)16-8-13-7-15-17(3)11(13)2/h4-7,16,18H,8-9H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106043704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).