4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C14H22BrNO2S — CID 102907719

IUPAC4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C14H22BrNO2S/c1-10(2)14(11(3)4)9-16-19(17,18)13-7-5-12(15)6-8-13/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyWRYSODUIGQLHJU-UHFFFAOYSA-N
MW348.31 g/mol
LogP3.66
Rot. Bonds6

About 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102907719) has the molecular formula C14H22BrNO2S and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102907719
Molecular FormulaC14H22BrNO2S
Molecular Weight348.31 g/mol
Exact Mass347.06
IUPAC Name4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C14H22BrNO2S/c1-10(2)14(11(3)4)9-16-19(17,18)13-7-5-12(15)6-8-13/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyWRYSODUIGQLHJU-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
3-[(4-bromophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62667476
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-bromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297752
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
6-amino-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102903322
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
4-bromo-N-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 64996479
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
N-ethyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzenesulfonamide
CID 102914045
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102907719) is 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(Br)cc1)C(C)C.
What is the InChIKey of 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is WRYSODUIGQLHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2S/c1-10(2)14(11(3)4)9-16-19(17,18)13-7-5-12(15)6-8-13/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 348.31 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102907719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).