4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C12H15BrN4O2S — CID 106218634

IUPAC4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cc1Br)c1cn[nH]c1
InChIInChI=1S/C12H15BrN4O2S/c1-8(10-6-15-16-7-10)17-20(18,19)12-3-2-9(5-14)4-11(12)13/h2-4,6-8,17H,5,14H2,1H3,(H,15,16)
InChIKeyOFEMNVDUBUYGMG-UHFFFAOYSA-N
MW359.25 g/mol
LogP1.67
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 106218634) has the molecular formula C12H15BrN4O2S and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID106218634
Molecular FormulaC12H15BrN4O2S
Molecular Weight359.25 g/mol
Exact Mass358.01
IUPAC Name4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)cc1Br)c1cn[nH]c1
InChIInChI=1S/C12H15BrN4O2S/c1-8(10-6-15-16-7-10)17-20(18,19)12-3-2-9(5-14)4-11(12)13/h2-4,6-8,17H,5,14H2,1H3,(H,15,16)
InChIKeyOFEMNVDUBUYGMG-UHFFFAOYSA-N
XLogP1.67
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217429
4-(aminomethyl)-2-bromo-N-(1-phenylethyl)benzenesulfonamide
CID 106035478
5-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-sulfonamide
CID 106218530
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303
3-(aminomethyl)-2,4-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218593
3-(aminomethyl)-2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218611
4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050184
4-amino-2-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208333
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208359
4-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)benzenesulfonamide
CID 114134360
2-bromo-5-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 106208908
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 106218634) is 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CN)cc1Br)c1cn[nH]c1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is OFEMNVDUBUYGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2S/c1-8(10-6-15-16-7-10)17-20(18,19)12-3-2-9(5-14)4-11(12)13/h2-4,6-8,17H,5,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106218634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).