3-bromo-4-(propan-2-ylamino)benzenesulfonamide

C9H13BrN2O2S — CID 43745736

IUPAC3-bromo-4-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-6(2)12-9-4-3-7(5-8(9)10)15(11,13)14/h3-6,12H,1-2H3,(H2,11,13,14)
InChIKeyPFZUDLQYSRKTBQ-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.92
Rot. Bonds3

About 3-bromo-4-(propan-2-ylamino)benzenesulfonamide

3-bromo-4-(propan-2-ylamino)benzenesulfonamide (PubChem CID 43745736) has the molecular formula C9H13BrN2O2S and a molecular weight of 293.19 g/mol. Its IUPAC name is 3-bromo-4-(propan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-(propan-2-ylamino)benzenesulfonamide
PubChem CID43745736
Molecular FormulaC9H13BrN2O2S
Molecular Weight293.19 g/mol
Exact Mass291.99
IUPAC Name3-bromo-4-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C9H13BrN2O2S/c1-6(2)12-9-4-3-7(5-8(9)10)15(11,13)14/h3-6,12H,1-2H3,(H2,11,13,14)
InChIKeyPFZUDLQYSRKTBQ-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
3-bromo-4-(pentan-2-ylamino)benzenesulfonamide
CID 43745707
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716
3-bromo-4-[1-(3-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 43790989
3-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 63085665
tert-butyl N-[2-(2-bromo-4-sulfamoylanilino)propyl]carbamate
CID 103388940
3-bromo-4-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62632723
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
3-bromo-4-(chloromethylsulfonylamino)benzenesulfonamide
CID 63666622
(2-bromo-4-methylsulfonylphenyl)hydrazine
CID 2761068
3-amino-4-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43372059

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(propan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-bromo-4-(propan-2-ylamino)benzenesulfonamide (CID 43745736) is 3-bromo-4-(propan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-(propan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-(propan-2-ylamino)benzenesulfonamide is CC(C)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of 3-bromo-4-(propan-2-ylamino)benzenesulfonamide?
The InChIKey is PFZUDLQYSRKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2S/c1-6(2)12-9-4-3-7(5-8(9)10)15(11,13)14/h3-6,12H,1-2H3,(H2,11,13,14).
What are the key properties of 3-bromo-4-(propan-2-ylamino)benzenesulfonamide?
3-bromo-4-(propan-2-ylamino)benzenesulfonamide has a molecular weight of 293.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(propan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43745736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).