2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide

C13H18N4O3S — CID 64830564

IUPAC2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cnn(CCO)c1
InChIInChI=1S/C13H18N4O3S/c1-14-21(19,20)13-5-3-2-4-12(13)15-8-11-9-16-17(10-11)6-7-18/h2-5,9-10,14-15,18H,6-8H2,1H3
InChIKeyXPQNGRZXTDVVGB-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.40
Rot. Bonds7

About 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide

2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide (PubChem CID 64830564) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
PubChem CID64830564
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cnn(CCO)c1
InChIInChI=1S/C13H18N4O3S/c1-14-21(19,20)13-5-3-2-4-12(13)15-8-11-9-16-17(10-11)6-7-18/h2-5,9-10,14-15,18H,6-8H2,1H3
InChIKeyXPQNGRZXTDVVGB-UHFFFAOYSA-N
XLogP0.40
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103571450
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
2-[4-[(2-thiophen-2-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 64828814
3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4-methylbenzenesulfonamide
CID 64830945
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 103818567
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 83089797
2-[4-[(3-chloroanilino)methyl]pyrazol-1-yl]ethanol
CID 64830921

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide (CID 64830564) is 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cnn(CCO)c1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide?
The InChIKey is XPQNGRZXTDVVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-14-21(19,20)13-5-3-2-4-12(13)15-8-11-9-16-17(10-11)6-7-18/h2-5,9-10,14-15,18H,6-8H2,1H3.
What are the key properties of 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide?
2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 64830564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).