2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

C12H13Br2N3O2S — CID 47305787

IUPAC2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H13Br2N3O2S/c1-17-8-9(7-15-17)4-5-16-20(18,19)12-3-2-10(13)6-11(12)14/h2-3,6-8,16H,4-5H2,1H3
InChIKeyBWYNCMNXFMIJBI-UHFFFAOYSA-N
MW423.13 g/mol
LogP2.47
Rot. Bonds5

About 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 47305787) has the molecular formula C12H13Br2N3O2S and a molecular weight of 423.13 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID47305787
Molecular FormulaC12H13Br2N3O2S
Molecular Weight423.13 g/mol
Exact Mass420.91
IUPAC Name2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H13Br2N3O2S/c1-17-8-9(7-15-17)4-5-16-20(18,19)12-3-2-10(13)6-11(12)14/h2-3,6-8,16H,4-5H2,1H3
InChIKeyBWYNCMNXFMIJBI-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685
4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
2-amino-4-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61350401
3-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 113225806
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106594742
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
4-bromo-2-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688584
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 47305787) is 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is Cn1cc(CCNS(=O)(=O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is BWYNCMNXFMIJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O2S/c1-17-8-9(7-15-17)4-5-16-20(18,19)12-3-2-10(13)6-11(12)14/h2-3,6-8,16H,4-5H2,1H3.
What are the key properties of 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 423.13 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 47305787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).