N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide

C19H20ClN3O3S — CID 154034455

IUPACN-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1c(C(C)(C)O)cnn1-c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20ClN3O3S/c1-13-16(19(2,3)24)12-21-23(13)18-11-14(20)9-10-17(18)22-27(25,26)15-7-5-4-6-8-15/h4-12,22,24H,1-3H3
InChIKeyOGJURNXQWWGXMD-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.86
Rot. Bonds5

About N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide

N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 154034455) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID154034455
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCc1c(C(C)(C)O)cnn1-c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20ClN3O3S/c1-13-16(19(2,3)24)12-21-23(13)18-11-14(20)9-10-17(18)22-27(25,26)15-7-5-4-6-8-15/h4-12,22,24H,1-3H3
InChIKeyOGJURNXQWWGXMD-UHFFFAOYSA-N
XLogP3.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-chloro-2-(4,5-dimethyltriazol-1-yl)phenyl]benzenesulfonamide
CID 143780453
N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034450
N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034454
N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]-3-fluoro-4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 25135283
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
4-tert-butyl-N-[4-chloro-2-(triazolo[4,5-b]pyridin-1-yl)phenyl]benzenesulfonamide
CID 25134921
4-tert-butyl-N-[4-chloro-2-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 90309898
N-(4-chloro-2-pyrazolo[4,5-b]pyridin-1-ylphenyl)-4-[1-(dimethylamino)ethyl]benzenesulfonamide
CID 71025583
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-[2-(4-acetyl-6,7-dihydro-5H-triazolo[4,5-b]pyridin-1-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 25134329

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide (CID 154034455) is N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide is Cc1c(C(C)(C)O)cnn1-c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is OGJURNXQWWGXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-13-16(19(2,3)24)12-21-23(13)18-11-14(20)9-10-17(18)22-27(25,26)15-7-5-4-6-8-15/h4-12,22,24H,1-3H3.
What are the key properties of N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide?
N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 405.91 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 154034455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).