N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide

C10H14BrNO2S — CID 114294358

IUPACN-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(C)CBr)c1
InChIInChI=1S/C10H14BrNO2S/c1-8-4-3-5-10(6-8)15(13,14)12-9(2)7-11/h3-6,9,12H,7H2,1-2H3
InChIKeyZECYAJGXQOIIEI-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.06
Rot. Bonds4

About N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide

N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide (PubChem CID 114294358) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
PubChem CID114294358
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(C)CBr)c1
InChIInChI=1S/C10H14BrNO2S/c1-8-4-3-5-10(6-8)15(13,14)12-9(2)7-11/h3-6,9,12H,7H2,1-2H3
InChIKeyZECYAJGXQOIIEI-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-3-methylbenzenesulfonamide
CID 3732088
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 106356635
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
N-(5-bromo-4-methylpentyl)-3-methylbenzenesulfonamide
CID 106158703
N,3-dimethylbenzenesulfonamide;ethane
CID 143402177
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
(2S)-3-methyl-2-[(3-methylphenyl)sulfonylamino]butanoate
CID 2241578
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide (CID 114294358) is N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC(C)CBr)c1.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is ZECYAJGXQOIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-8-4-3-5-10(6-8)15(13,14)12-9(2)7-11/h3-6,9,12H,7H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide?
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 114294358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).