2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide

C13H18BrNO3S — CID 166331298

IUPAC2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide
SMILESC[C@H](CO)N(C)S(=O)(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c1-9(8-16)15(2)19(17,18)13-7-12(13)10-3-5-11(14)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3/t9-,12?,13?/m1/s1
InChIKeyAKTMTDNYFQXRKQ-UHEGKEBESA-N
MW348.26 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide

2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide (PubChem CID 166331298) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide
PubChem CID166331298
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide
SMILESC[C@H](CO)N(C)S(=O)(=O)C1CC1c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO3S/c1-9(8-16)15(2)19(17,18)13-7-12(13)10-3-5-11(14)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3/t9-,12?,13?/m1/s1
InChIKeyAKTMTDNYFQXRKQ-UHEGKEBESA-N
XLogP1.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide (CID 166331298) is 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide is C[C@H](CO)N(C)S(=O)(=O)C1CC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide?
The InChIKey is AKTMTDNYFQXRKQ-UHEGKEBESA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-9(8-16)15(2)19(17,18)13-7-12(13)10-3-5-11(14)6-4-10/h3-6,9,12-13,16H,7-8H2,1-2H3/t9-,12?,13?/m1/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide?
2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide has a molecular weight of 348.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-N-methylcyclopropane-1-sulfonamide is sourced from PubChem (CID 166331298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).