N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide

C19H20BrN3O2S — CID 22206741

IUPACN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(Cn3cc(Br)cn3)c2)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-14(2)16-6-8-19(9-7-16)26(24,25)22-18-5-3-4-15(10-18)12-23-13-17(20)11-21-23/h3-11,13-14,22H,12H2,1-2H3
InChIKeyDYLXINFOUJDAMA-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.62
Rot. Bonds6

About N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 22206741) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID22206741
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(Cn3cc(Br)cn3)c2)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-14(2)16-6-8-19(9-7-16)26(24,25)22-18-5-3-4-15(10-18)12-23-13-17(20)11-21-23/h3-11,13-14,22H,12H2,1-2H3
InChIKeyDYLXINFOUJDAMA-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide
CID 22206733
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,5-dichlorobenzenesulfonamide
CID 22206752
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 22206753
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-butan-2-ylbenzenesulfonamide
CID 22205303
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22771727
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795
1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-chloropropan-2-ol
CID 168638839
2-[1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489694
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263693
2-[2-[3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68691582

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide (CID 22206741) is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cccc(Cn3cc(Br)cn3)c2)cc1.
What is the InChIKey of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is DYLXINFOUJDAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c1-14(2)16-6-8-19(9-7-16)26(24,25)22-18-5-3-4-15(10-18)12-23-13-17(20)11-21-23/h3-11,13-14,22H,12H2,1-2H3.
What are the key properties of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 434.36 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 22206741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).