N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide

C16H13BrClN3O2S — CID 22206733

IUPACN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClN3O2S/c17-13-9-19-21(11-13)10-12-2-1-3-15(8-12)20-24(22,23)16-6-4-14(18)5-7-16/h1-9,11,20H,10H2
InChIKeyVHHVNVAIDHUFIJ-UHFFFAOYSA-N
MW426.72 g/mol
LogP4.15
Rot. Bonds5

About N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide (PubChem CID 22206733) has the molecular formula C16H13BrClN3O2S and a molecular weight of 426.72 g/mol. Its IUPAC name is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide
PubChem CID22206733
Molecular FormulaC16H13BrClN3O2S
Molecular Weight426.72 g/mol
Exact Mass424.96
IUPAC NameN-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClN3O2S/c17-13-9-19-21(11-13)10-12-2-1-3-15(8-12)20-24(22,23)16-6-4-14(18)5-7-16/h1-9,11,20H,10H2
InChIKeyVHHVNVAIDHUFIJ-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 22206741
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-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795
1-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-chloropropan-2-ol
CID 168638839
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-chlorobenzenesulfonamide
CID 17022499
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
CID 17376266
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263693
2-[[3-[(4-bromopyrazol-1-yl)methyl]anilino]methylidene]propanedinitrile
CID 168543532
N-[3-[3-(4-benzylpiperazin-1-yl)-2-oxopropyl]phenyl]-4-chlorobenzenesulfonamide;dihydrochloride
CID 67759878
1-[3-(4-bromopyrazol-1-yl)propyl]-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19334273

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide (CID 22206733) is N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cn2cc(Br)cn2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide?
The InChIKey is VHHVNVAIDHUFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2S/c17-13-9-19-21(11-13)10-12-2-1-3-15(8-12)20-24(22,23)16-6-4-14(18)5-7-16/h1-9,11,20H,10H2.
What are the key properties of N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide?
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-chlorobenzenesulfonamide has a molecular weight of 426.72 g/mol, XLogP of 4.15, 5 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-chlorobenzenesulfonamide is sourced from PubChem (CID 22206733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).