N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide

C17H16BrN3O2S — CID 169373356

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C17H16BrN3O2S/c1-12-6-8-15(9-7-12)24(22,23)20-14-5-3-4-13(10-14)17-16(18)11-19-21(17)2/h3-11,20H,1-2H3
InChIKeyPJGAYRFHKRMPKT-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.96
Rot. Bonds4

About N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169373356) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169373356
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1
InChIInChI=1S/C17H16BrN3O2S/c1-12-6-8-15(9-7-12)24(22,23)20-14-5-3-4-13(10-14)17-16(18)11-19-21(17)2/h3-11,20H,1-2H3
InChIKeyPJGAYRFHKRMPKT-UHFFFAOYSA-N
XLogP3.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220
4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
CID 169370728
4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
CID 169372224
(4-bromophenyl) N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]carbamate
CID 10195153
5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide (CID 169373356) is N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3c(Br)cnn3C)c2)cc1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is PJGAYRFHKRMPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-12-6-8-15(9-7-12)24(22,23)20-14-5-3-4-13(10-14)17-16(18)11-19-21(17)2/h3-11,20H,1-2H3.
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 406.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).