N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide

C10H14BrNO3S — CID 114294306

IUPACN-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CBr)cc1
InChIInChI=1S/C10H14BrNO3S/c1-8(7-11)12-16(13,14)10-5-3-9(15-2)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyOFVURZGWANIGAO-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.76
Rot. Bonds5

About N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide

N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 114294306) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
PubChem CID114294306
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC NameN-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)CBr)cc1
InChIInChI=1S/C10H14BrNO3S/c1-8(7-11)12-16(13,14)10-5-3-9(15-2)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyOFVURZGWANIGAO-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-(1-aminopropan-2-yl)-4-methoxybenzenesulfonamide
CID 61123975
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987247
diethyl-[(4S)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987249
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide (CID 114294306) is N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)CBr)cc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is OFVURZGWANIGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-8(7-11)12-16(13,14)10-5-3-9(15-2)4-6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide?
N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114294306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).