N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide

C18H19ClN4O2S — CID 154034454

IUPACN-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCN(C)Cc1cnn(-c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H19ClN4O2S/c1-22(2)12-14-11-20-23(13-14)18-10-15(19)8-9-17(18)21-26(24,25)16-6-4-3-5-7-16/h3-11,13,21H,12H2,1-2H3
InChIKeyYEVBJXMZXCXTDC-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.39
Rot. Bonds6

About N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide

N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 154034454) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID154034454
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCN(C)Cc1cnn(-c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H19ClN4O2S/c1-22(2)12-14-11-20-23(13-14)18-10-15(19)8-9-17(18)21-26(24,25)16-6-4-3-5-7-16/h3-11,13,21H,12H2,1-2H3
InChIKeyYEVBJXMZXCXTDC-UHFFFAOYSA-N
XLogP3.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034450
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 57378304
N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034455
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24504607
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
CID 110121736
N-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 174603446
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide
CID 71025583
N-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 174603455

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide (CID 154034454) is N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide is CN(C)Cc1cnn(-c2cc(Cl)ccc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is YEVBJXMZXCXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-22(2)12-14-11-20-23(13-14)18-10-15(19)8-9-17(18)21-26(24,25)16-6-4-3-5-7-16/h3-11,13,21H,12H2,1-2H3.
What are the key properties of N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide?
N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 390.90 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 154034454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).