4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

C10H14BrNO3S — CID 107858958

IUPAC4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C10H14BrNO3S/c1-8(13)7-12-16(14,15)10-4-2-9(6-11)3-5-10/h2-5,8,12-13H,6-7H2,1H3/t8-/m0/s1
InChIKeyAZIAJKAMUUEYGS-QMMMGPOBSA-N
MW308.20 g/mol
LogP1.24
Rot. Bonds5

About 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 107858958) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
PubChem CID107858958
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C10H14BrNO3S/c1-8(13)7-12-16(14,15)10-4-2-9(6-11)3-5-10/h2-5,8,12-13H,6-7H2,1H3/t8-/m0/s1
InChIKeyAZIAJKAMUUEYGS-QMMMGPOBSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
4-(bromomethyl)-N-(4-hydroxypentyl)benzenesulfonamide
CID 106137487
4-(bromomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107155426
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
4-(bromomethyl)-N-[2-(dimethylamino)-3-methylbutyl]benzenesulfonamide
CID 65482009
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
4-(bromomethyl)-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66171878
4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 65480400
4-butanoyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 82164615
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (CID 107858958) is 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is C[C@H](O)CNS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is AZIAJKAMUUEYGS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-8(13)7-12-16(14,15)10-4-2-9(6-11)3-5-10/h2-5,8,12-13H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 107858958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).