3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

C11H12BrClN4O2S — CID 106208359

IUPAC3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(N)c1Br)c1cn[nH]c1
InChIInChI=1S/C11H12BrClN4O2S/c1-6(7-4-15-16-5-7)17-20(18,19)10-3-8(13)2-9(14)11(10)12/h2-6,17H,14H2,1H3,(H,15,16)
InChIKeyMNCQSILSUCIVCI-UHFFFAOYSA-N
MW379.67 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide

3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 106208359) has the molecular formula C11H12BrClN4O2S and a molecular weight of 379.67 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID106208359
Molecular FormulaC11H12BrClN4O2S
Molecular Weight379.67 g/mol
Exact Mass377.96
IUPAC Name3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(N)c1Br)c1cn[nH]c1
InChIInChI=1S/C11H12BrClN4O2S/c1-6(7-4-15-16-5-7)17-20(18,19)10-3-8(13)2-9(14)11(10)12/h2-6,17H,14H2,1H3,(H,15,16)
InChIKeyMNCQSILSUCIVCI-UHFFFAOYSA-N
XLogP2.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218611
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303
2,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-3-sulfonamide
CID 103854257
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
4-(aminomethyl)-2-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106218634
4-(aminomethyl)-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217429
4-amino-2-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208333
3-amino-2-bromo-5-chloro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64600281
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
2-chloro-5-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 104919359
methyl 5-bromo-4-[1-(1H-pyrazol-4-yl)ethylsulfamoyl]thiophene-2-carboxylate
CID 103854129

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide (CID 106208359) is 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)cc(N)c1Br)c1cn[nH]c1.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MNCQSILSUCIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O2S/c1-6(7-4-15-16-5-7)17-20(18,19)10-3-8(13)2-9(14)11(10)12/h2-6,17H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 379.67 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106208359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).