4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide

C10H11BrN2O2S — CID 61128073

IUPAC4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2S/c1-10(2,7-12)13-16(14,15)9-5-3-8(11)4-6-9/h3-6,13H,1-2H3
InChIKeyXGNJNFVMLVZEHQ-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.03
Rot. Bonds3

About 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide

4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide (PubChem CID 61128073) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
PubChem CID61128073
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrN2O2S/c1-10(2,7-12)13-16(14,15)9-5-3-8(11)4-6-9/h3-6,13H,1-2H3
InChIKeyXGNJNFVMLVZEHQ-UHFFFAOYSA-N
XLogP2.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropan-2-yl)-4-nitrobenzenesulfonamide
CID 61127910
4-(cyanomethyl)-N-(2-cyanopropan-2-yl)benzenesulfonamide
CID 79185657
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
5-bromo-N-(2-cyanopropan-2-yl)thiophene-2-sulfonamide
CID 61126498
4-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042475
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
methyl 2-[(4-bromophenyl)sulfonylamino]-2-methylpropanoate
CID 60744572
N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110615020
N-[2-(4-bromophenyl)propan-2-yl]-4-nitrobenzenesulfonamide
CID 39703771
N-(2-cyanopropan-2-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 61127916
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)benzenesulfonamide
CID 105060233
4-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]benzenesulfonamide
CID 107868413

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide (CID 61128073) is 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide is CC(C)(C#N)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide?
The InChIKey is XGNJNFVMLVZEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-10(2,7-12)13-16(14,15)9-5-3-8(11)4-6-9/h3-6,13H,1-2H3.
What are the key properties of 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide?
4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide has a molecular weight of 303.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanopropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61128073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).